data_2kyc_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 2kyc _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 ' 3' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.815 0.341 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.47 -73.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -24.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.73 -165.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.54 141.14 31.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.751 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -15.4 37.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p -94.58 24.56 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -128.23 -35.27 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.71 -23.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.95 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.6 -18.66 54.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.59 -28.76 8.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 mt -70.41 -16.55 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -113.16 -22.34 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.83 -19.3 21.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 m -113.81 23.62 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.67 -23.87 63.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.43 160.79 12.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.05 24.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 57.62 23.56 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -102.51 -25.98 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -95.57 127.07 41.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.31 160.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -36.02 11.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -92.8 30.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -134.52 -40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -80.85 -19.47 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -54.86 -33.71 62.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -83.21 -17.33 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 mt -88.86 -60.16 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 p -59.47 -66.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.13 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtm -101.51 2.71 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -79.13 -7.62 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -110.63 7.51 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -61.26 -172.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.408 ' N ' HE22 ' A' ' 42' ' ' GLN . 1.5 m -171.24 35.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m 59.93 19.22 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -123.73 -5.28 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -123.53 -21.57 5.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.49 -70.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -20.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -49.35 -47.66 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.45 -22.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 p90 38.01 42.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -143.82 14.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.21 -19.32 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.45 -64.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -156.43 149.77 24.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -95.89 38.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.23 -47.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 51.71 34.79 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 p -95.2 -21.86 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.24 -68.94 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -122.95 -170.03 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.3 mt -129.68 153.11 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.06 165.41 25.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.65 -21.41 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -73.43 -7.63 52.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.59 19.07 14.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.2 mt -119.91 -47.41 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -45.23 -36.68 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -104.67 47.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -92.26 -61.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.1 mt -51.67 -30.15 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -29.0 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -63.87 -73.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -62.56 -55.71 24.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -49.29 162.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.09 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -169.66 64.18 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.26 174.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.55 -62.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -164.4 159.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -105.76 169.51 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -77.14 -171.5 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.68 7.83 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.38 -53.8 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.04 -32.27 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -86.64 -49.17 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -56.6 -21.06 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.4 t -99.56 20.92 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.63 -41.03 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -120.23 -22.55 6.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.33 14.65 25.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.45 -36.99 5.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.54 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.739 0.304 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.32 146.89 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.78 58.84 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.78 34.46 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.88 -37.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -81.33 -51.76 8.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -37.26 53.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.46 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.6 -26.8 23.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.0 ttm -65.07 -49.82 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.73 -48.99 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -58.31 -38.47 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.779 0.324 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.57 -74.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -24.42 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.28 -169.9 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.83 116.34 58.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.702 0.763 . . . . 0.0 110.845 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.63 30.53 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -92.26 15.82 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.96 -35.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 mt -61.54 -28.2 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.47 62.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.64 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.21 -46.3 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.3 mt -55.61 -25.66 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -94.38 -16.29 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -108.05 19.29 20.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.12 16.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.86 -16.52 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.79 157.13 74.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 144.29 53.54 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 51.21 30.74 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -114.5 -20.63 10.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -95.99 143.85 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.42 158.34 11.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -38.35 7.89 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.97 13.69 12.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -120.02 -33.13 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.35 -20.15 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -52.96 -30.8 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.78 -25.92 26.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.6 mt -78.46 -48.1 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.7 p -76.4 -56.72 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.29 42.49 0.16 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.8 mtm -88.87 -30.76 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.0 -33.29 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -60.49 -34.15 73.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -51.28 169.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 p -144.93 46.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p 58.49 20.41 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -118.73 -12.32 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.2 1.16 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.05 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.83 -45.57 93.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.18 -23.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.4 p90 38.16 40.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.8 mtm-85 -140.66 11.88 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.7 -5.53 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -111.17 -64.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -152.71 163.42 39.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -115.62 -9.06 12.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.43 -55.52 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 59.92 20.61 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.1 m -77.51 -21.67 52.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.42 -18.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -163.24 -171.08 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -128.97 158.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -147.6 166.63 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.83 -20.37 49.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -81.38 -3.6 53.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -123.49 25.29 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 mt -110.3 -49.53 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -58.71 168.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 58.96 27.25 16.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -82.35 -49.48 9.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.57 -23.27 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -17.06 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.71 -52.75 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -81.55 -63.71 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -56.51 -39.3 73.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t 63.62 15.93 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.55 -32.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.09 176.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.71 -57.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 t -142.94 157.89 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.6 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 p -107.6 170.25 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.06 -13.38 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -55.37 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.51 -59.24 5.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 p -51.06 -47.18 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -50.66 -44.92 57.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.26 41.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -120.24 -47.49 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -116.96 -23.0 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.38 1.93 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.61 -37.31 13.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.5 -10.81 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.754 0.311 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.2 mm -76.27 157.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.66 68.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.59 48.63 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.55 -46.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.16 -46.15 36.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -23.7 50.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.41 ' N ' HE21 ' A' ' 103' ' ' GLN . 0.4 OUTLIER -75.4 -49.8 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.02 -24.92 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.1 ttp -65.59 -26.22 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.47 -53.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -60.18 -30.75 69.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.82 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -76.38 -61.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.51 -168.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -117.52 121.12 32.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -84.63 5.12 29.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.98 -34.99 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.9 mt -62.12 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -31.95 67.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.97 -19.97 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.63 -45.65 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.5 mt -54.28 -27.37 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -88.4 -57.6 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -52.27 -41.87 63.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -105.73 24.42 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.27 -21.94 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.59 159.76 83.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 138.34 37.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 62.11 23.62 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -115.57 -20.03 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -104.04 149.32 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.7 m -160.59 156.85 22.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.55 10.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.29 27.01 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.57 -37.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -86.14 -11.48 52.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -51.88 -33.16 35.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -88.24 -32.02 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.29 -61.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 p -59.21 -51.91 67.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.62 31.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mtm -83.86 -18.9 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -52.95 -33.18 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -65.21 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -50.64 168.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -150.18 42.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.5 t 59.23 21.77 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -120.44 -12.25 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.58 -17.52 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mt -52.4 -30.49 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -21.05 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.58 -44.04 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.1 mp -82.97 -18.28 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.61 40.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -139.32 9.31 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.3 pt -120.6 -24.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.71 -66.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.21 145.25 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -96.32 20.48 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.36 -44.88 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 51.0 37.26 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -93.59 -14.24 26.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.23 -69.53 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.0 -173.43 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.3 mt -129.12 154.51 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -140.41 172.47 12.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.23 -20.58 42.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.16 -5.28 43.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.0 21.39 11.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 mt -119.75 -18.98 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -82.79 -4.37 57.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -123.14 52.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -96.3 -63.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.14 -24.36 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.87 -21.25 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.86 -71.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -52.08 -70.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.3 -35.0 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 63.96 15.14 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.55 13.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.9 174.15 11.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.34 -69.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 t -146.38 156.9 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.11 170.43 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 p -76.65 -177.14 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.28 -19.67 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -85.37 -52.37 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.27 -46.92 55.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.1 p -71.66 -27.47 63.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -70.58 -22.61 62.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t -101.55 28.56 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -105.2 -58.69 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.44 -22.93 7.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.89 -2.03 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.2 -39.81 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.4 mttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.3 mm -77.94 145.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.81 54.85 0.66 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.63 29.3 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.93 -37.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.61 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.59 -36.73 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -71.73 -58.14 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.94 -27.45 31.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.1 ttm -64.91 -67.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.65 -54.14 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -57.05 -36.66 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -77.08 -64.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -14.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 -171.06 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 t -104.24 131.38 21.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.743 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.09 29.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -93.72 31.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.63 -46.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.8 mt -59.69 -23.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.99 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.84 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.74 -36.74 11.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.7 mt -60.22 -21.21 61.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -98.88 -41.65 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.72 -5.93 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.1 m -132.42 25.12 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -14.42 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.66 160.23 64.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 140.03 41.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.58 25.21 12.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -115.08 -21.6 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -97.87 149.55 22.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -166.71 160.03 11.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.74 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -37.2 9.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.75 33.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -137.68 -40.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -82.87 -16.08 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -57.94 -27.34 63.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.07 -31.98 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.17 -58.06 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.2 m -58.71 -51.95 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.08 32.64 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -88.0 -20.58 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 p -53.85 -33.58 56.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -66.21 -28.66 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -55.12 178.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -152.64 42.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p 61.44 17.69 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.08 -11.33 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 -12.81 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mt -61.64 -50.7 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -83.2 4.04 28.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -72.08 -45.6 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.08 -39.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.02 33.63 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -139.43 6.22 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.39 -8.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.34 -64.73 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 171.89 15.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -120.46 6.92 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -106.04 -35.69 7.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.93 29.56 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -84.96 -44.44 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.64 -51.24 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -121.78 -179.09 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mt -129.51 156.3 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -134.38 164.47 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -58.71 -20.76 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -79.06 -4.44 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -122.36 24.92 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 mt -113.53 -51.2 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -51.44 170.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 59.54 24.34 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -77.77 -48.81 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.8 mt -56.21 -21.48 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -72.54 -28.49 62.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -54.73 -57.72 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -84.97 -49.6 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.34 132.65 34.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -93.17 16.3 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -124.46 -1.41 8.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.94 173.64 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.756 0.312 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.2 -73.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.16 161.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.41 -174.82 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.2 p -104.45 -176.99 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.03 -0.56 35.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.032 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.98 -55.69 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.02 -47.37 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -71.73 -45.22 62.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -54.42 -23.28 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.3 t -104.7 28.59 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -47.67 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.29 -23.25 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.3 2.95 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.64 -9.88 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.52 -67.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.87 150.73 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.09 56.49 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.46 32.45 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.59 -58.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -56.16 -56.44 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -54.4 -50.31 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -54.77 -55.19 32.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -53.63 -46.99 70.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.9 ttp -48.99 -27.76 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.5 t -85.15 -50.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -61.06 -22.62 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 -179.795 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.41 -69.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -62.55 -24.87 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.73 -172.77 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.8 137.87 19.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -13.2 34.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -93.86 22.04 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.13 -50.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mt -61.8 -19.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.93 -26.36 56.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.88 -16.21 62.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.08 -36.31 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.7 mt -57.28 -28.08 62.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -90.89 -21.05 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.04 19.49 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.1 p -146.87 20.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.12 -22.48 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.33 159.79 83.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 132.87 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.352 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.4 t0 57.23 23.44 8.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 t -97.91 -16.39 19.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -95.59 144.28 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -161.09 157.87 23.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.651 0.739 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.01 9.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -92.63 36.57 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -134.87 -39.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -86.03 -18.66 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -51.12 -31.16 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -89.21 -31.71 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 mt -69.65 -62.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 p -59.15 -46.98 86.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.76 27.0 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.433 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.87 -18.23 56.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -32.36 54.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -64.15 -27.64 69.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HB3' HD21 ' A' ' 43' ' ' LEU . 6.1 mmpt? -56.34 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -167.02 50.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m 56.12 23.36 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -121.55 -6.12 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -133.7 -9.53 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 38' ' ' LYS . 13.4 mt -62.35 -33.82 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -0.45 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.76 -45.0 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.0 -18.76 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.5 p90 37.9 42.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -141.51 11.99 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 pt -122.7 -27.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.42 -67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -144.39 175.17 10.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -133.37 28.78 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -129.83 -46.87 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 51.56 30.18 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -89.42 -58.19 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -148.27 -41.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.92 168.48 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mt -90.11 162.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -152.46 170.04 21.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.68 -23.23 62.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.89 -10.51 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -117.48 27.87 8.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 mt -126.38 -45.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -60.11 -10.8 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -113.74 32.39 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -80.56 -68.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.57 -24.82 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -28.0 8.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -86.31 -70.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -51.19 -61.19 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.52 170.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -62.19 -34.79 77.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.74 60.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.64 174.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -123.2 -52.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.57 156.41 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.56 170.09 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.3 p -76.9 -174.57 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.08 6.99 33.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.0 m -113.65 -54.14 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.77 -32.33 51.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.4 p -88.93 -34.67 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -69.26 -13.08 62.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.3 t -102.82 24.28 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.81 -59.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.26 -65.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.12 -21.9 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.42 -60.25 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.5 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.0 mm -134.09 150.71 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.51 55.52 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.87 44.47 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -152.28 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.2 -54.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.69 -23.16 62.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.26 -49.35 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.16 -16.11 64.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.3 ttp -73.71 -45.32 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.94 -36.31 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -89.79 2.78 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.816 0.341 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -76.45 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -24.55 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.26 -168.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.46 128.26 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.68 0.752 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -20.06 35.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -94.84 30.14 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.67 -34.96 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -70.03 -26.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.38 -27.04 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 -17.7 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.4 -36.39 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.11 -26.21 36.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -22.52 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.78 20.44 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 p -134.71 7.48 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.88 -21.19 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.96 160.08 76.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.69 26.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 53.58 26.94 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.32 -16.61 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -102.22 144.59 30.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 p -169.09 154.7 6.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.08 34.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -98.47 15.06 26.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -123.16 -40.06 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -81.9 -15.93 52.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -53.47 -28.07 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -94.76 -31.74 13.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.33 -47.87 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.9 p -75.7 -51.5 12.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.57 32.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.551 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtm -83.32 -23.27 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -33.22 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -65.98 -29.46 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 6.7 mmpt? -52.6 174.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -153.6 40.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p 63.54 15.95 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -113.68 -10.7 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.13 -9.85 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 38' ' ' LYS . 11.8 mt -64.93 -55.63 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.28 4.94 28.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.0 -45.46 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mp -74.64 -33.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 56.05 38.29 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -147.66 16.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.05 4.14 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.92 -68.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.56 119.42 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -73.59 -56.78 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -71.79 -22.17 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 50.65 31.67 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 p -68.05 -14.1 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.09 8.11 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -175.49 178.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 mt -129.11 152.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -139.51 170.68 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 -57.72 -22.18 45.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.6 -4.85 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -124.24 24.52 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.1 mt -115.18 -46.5 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -10.38 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.08 48.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -96.18 -63.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 mt -53.27 -23.74 9.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.23 -23.89 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -85.41 -72.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -51.93 -60.41 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.0 169.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -70.17 -32.76 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -178.01 58.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.62 173.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -126.76 -71.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.53 156.01 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.36 175.35 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -75.79 178.62 6.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.19 -4.17 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -103.29 -52.24 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.91 -46.55 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.3 p -69.33 -47.27 64.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.84 -43.55 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 t -88.17 41.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -120.08 -49.63 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.93 -22.71 7.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.79 9.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.9 -37.99 8.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.96 -71.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 pttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.2 mm -87.17 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.32 -92.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.29 21.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -121.43 -29.33 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -93.97 -45.77 7.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.11 -48.19 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.411 ' NE2' ' H ' ' A' ' 103' ' ' GLN . 2.2 mp0 -49.37 -54.24 18.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.71 -48.18 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.7 ttp -49.92 -27.85 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.51 -49.49 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -50.88 -38.04 47.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -77.7 -66.37 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -25.83 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.56 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.47 138.89 20.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -12.67 33.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.23 . . . . 0.0 112.341 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 p -90.25 14.44 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -125.57 -34.6 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mt -67.51 -21.05 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.9 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.66 56.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.17 -31.5 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.5 mt -69.57 -13.44 62.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -107.39 -41.56 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.4 -7.28 53.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 m -126.11 42.32 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.34 -24.1 32.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.31 160.08 61.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.52 37.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 t0 53.84 27.2 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -110.96 -17.53 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -97.8 150.88 20.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -171.76 159.81 4.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.35 29.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -95.58 31.47 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -134.64 -40.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -80.58 -18.59 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -57.77 -30.91 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -92.3 -31.68 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.8 mt -72.37 -59.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -59.26 -55.11 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.23 42.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.5 mtm -98.56 -18.88 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.0 t -53.34 -37.09 62.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -27.6 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HB3' HD21 ' A' ' 43' ' ' LEU . 6.3 mmpt? -55.37 -179.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -161.76 53.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t 52.53 26.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -122.8 -6.07 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.461 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -134.19 -16.16 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 38' ' ' LYS . 11.7 mt -54.47 -45.09 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 4.38 39.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -78.28 -45.28 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.61 -29.31 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 54.05 30.1 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -146.13 15.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.6 pt -120.35 -22.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -95.75 -66.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.5 153.06 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -102.78 54.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.08 -54.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.2 31.78 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -90.99 -47.81 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.48 -57.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -158.74 165.43 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.3 mt -90.49 157.72 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -147.53 167.52 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.81 -21.28 41.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.14 -4.29 43.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.24 22.76 7.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.3 mt -108.88 -46.1 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.38 -42.4 82.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -80.44 41.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -90.86 -62.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -50.93 -29.29 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -46.17 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.64 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -61.85 -69.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.29 125.94 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -94.79 23.41 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.29 7.76 3.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.25 173.02 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -75.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -145.35 111.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 1.3 mt -53.57 174.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.0 p -76.22 -178.4 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.65 -5.44 55.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.5 -45.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -53.36 -55.54 24.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.1 p -54.7 -48.22 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.05 -44.15 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.67 42.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -120.73 -48.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 pp -116.57 -20.82 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.46 -28.21 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.45 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.96 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 pttm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.777 0.322 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.7 mm -87.55 145.88 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.34 63.0 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.23 44.21 28.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -149.29 -63.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -57.38 -53.83 53.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -53.41 -47.81 69.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -45.12 -39.4 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.79 -47.27 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.7 ttp -50.95 -27.28 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.26 -49.95 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -55.46 -26.52 42.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.808 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.769 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -76.69 -61.26 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -25.01 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.58 -174.01 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.28 134.79 20.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.47 35.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -93.84 30.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.06 -35.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.65 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -19.39 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.61 -36.15 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.03 -20.83 60.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -22.5 17.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.16 16.2 15.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.5 p -135.99 22.69 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.72 -17.1 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.6 159.75 80.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.699 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.14 24.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.61 25.59 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.04 -12.78 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -95.41 145.82 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -171.94 155.0 3.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.52 34.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.707 2.272 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -99.2 15.35 26.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -122.54 -34.92 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -86.24 -21.22 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.35 -31.31 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -87.12 -32.1 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.0 mt -71.78 -59.98 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 p -59.84 -40.0 87.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.37 17.76 6.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.6 mtm -69.57 -18.29 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 p -53.1 -34.9 58.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -64.44 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -51.9 171.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -151.73 45.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.409 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 43.0 t 58.04 21.32 7.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -118.92 -12.12 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -15.98 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.56 -32.97 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 9.38 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -87.65 -29.6 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 mp -91.7 -21.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.83 39.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -145.61 14.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.12 -2.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -115.86 -65.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -138.72 -174.95 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -131.47 5.85 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -121.21 -38.61 2.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 52.39 29.1 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 t -67.74 -22.86 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.91 -22.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -164.06 -169.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mt -128.31 152.68 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.16 168.23 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -57.95 -21.08 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -75.24 -5.27 43.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -121.34 24.0 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 mt -121.03 -52.33 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.69 -37.58 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -106.04 50.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -94.64 -59.45 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 32.1 mt -51.46 -29.42 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -48.23 -46.26 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -50.66 -71.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -62.75 -72.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.17 164.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -120.18 14.78 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.18 11.9 2.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.88 123.42 27.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.071 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -101.02 -73.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.96 110.95 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 1.3 mt -53.94 171.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -76.77 165.14 25.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.55 -2.02 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.49 -45.81 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.88 -52.35 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.0 p -52.7 -51.02 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -49.82 -44.09 49.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 t -88.67 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -121.56 -48.09 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.05 -22.15 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.29 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 pttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.0 mm -87.25 160.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.3 51.1 0.29 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.96 39.03 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.337 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -150.9 -46.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.97 -50.63 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.97 -34.87 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -65.98 -63.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.23 -25.43 33.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.4 ttm -64.68 -30.36 71.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.75 -48.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.409 ' NE2' ' H ' ' A' ' 40' ' ' SER . 44.3 mm-40 -62.8 -24.98 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -77.56 -73.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -25.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.29 -173.3 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.22 136.72 19.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.693 0.758 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -13.88 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.9 p -94.12 24.4 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -123.83 -48.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp -61.69 -24.76 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.24 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.46 -15.64 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.07 -36.31 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 mt -74.55 -11.5 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -46.51 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -19.43 51.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.4 m -127.29 23.59 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -59.95 -21.62 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.26 160.26 83.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.53 45.47 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.82 22.6 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -115.86 -19.29 10.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -100.29 143.93 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.25 160.63 21.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.88 9.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -92.43 28.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -132.58 -39.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -80.58 -22.57 40.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.11 -31.71 20.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -86.39 -30.56 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.84 -47.51 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 m -76.04 -52.9 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.25 32.78 0.66 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mtm -84.71 -23.99 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -53.77 -33.06 54.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.66 -27.67 67.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -57.53 -176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -168.63 56.06 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p 50.55 25.38 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 t -125.65 -10.88 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.54 -7.83 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.39 -69.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -17.83 55.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.11 -47.52 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 mp -83.92 -15.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.7 p90 38.54 39.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.32 13.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.6 pt -117.73 -20.37 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.33 -66.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -156.97 178.88 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -117.43 -14.07 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -65.97 -40.38 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.77 21.91 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 m -86.19 -34.17 20.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.72 -49.79 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.06 -174.42 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -128.61 158.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -136.87 176.09 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.26 -22.38 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.22 -6.11 48.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -115.9 20.39 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.2 mt -114.49 -51.78 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -47.11 -37.94 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.48 47.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 41.2 t80 -92.37 -48.88 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.7 mt -51.8 -30.51 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -26.0 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -57.68 -52.71 64.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -96.39 -61.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -49.56 -46.45 48.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t 63.18 15.59 8.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -130.42 -31.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.21 174.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 t -142.73 152.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -105.61 -173.24 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -103.35 159.96 15.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.53 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.8 -52.06 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.12 -60.58 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.9 p -49.28 -47.35 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -48.59 -45.63 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.1 t -90.32 43.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -135.16 -40.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.49 HD12 ' C ' ' A' ' 86' ' ' LEU . 2.6 tm? -112.62 -33.81 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.78 24.33 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.69 -48.25 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.93 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 71.6 mt -86.42 147.43 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.43 -87.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.93 25.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -124.88 -35.58 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -91.72 -45.22 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -49.59 -32.94 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.97 -62.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.26 -25.3 22.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.42 -26.92 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 t -113.65 -68.99 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -29.43 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.798 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.783 0.325 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.58 -55.49 15.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -22.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -169.45 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -107.62 111.9 62.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.62 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -105.84 21.67 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.91 -35.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.3 mt -61.78 -30.93 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.56 -35.19 75.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.62 -17.38 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.83 -36.85 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -59.46 -26.97 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -52.16 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.87 -41.31 70.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.2 22.67 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -57.01 -30.63 64.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.57 161.16 2.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.529 0.681 . . . . 0.0 111.147 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 138.74 38.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 53.21 27.95 6.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -109.54 -24.63 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -95.74 88.03 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -95.5 159.47 32.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.83 6.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -91.34 36.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -135.5 -40.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -83.45 -20.64 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -51.52 -32.56 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -83.61 -28.43 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mt -78.86 -65.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -51.85 -58.09 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.86 42.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtm -95.94 -30.4 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -53.34 -32.96 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -65.22 -27.89 68.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -174.99 54.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 p 52.89 26.09 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 t -126.03 -8.09 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -135.8 -5.58 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.13 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -51.41 -46.3 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mp -85.19 -21.75 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.3 p90 37.96 42.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.48 15.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -140.07 8.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -130.82 -68.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.36 107.24 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -73.35 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -44.35 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 51.76 30.11 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -121.05 -32.92 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.79 -75.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -170.84 165.86 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.53 152.38 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -150.35 166.64 29.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.15 -23.2 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.59 -6.57 49.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -122.34 25.72 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 mt -113.87 -46.42 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -63.15 -9.5 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -107.69 33.59 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.01 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.8 -25.67 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.66 -25.57 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -86.72 -72.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -56.88 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.01 169.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t -57.3 -50.76 71.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.68 58.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.0 174.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -120.3 -73.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.12 113.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 1.5 mt -54.78 178.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.8 p -75.49 -173.21 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.97 -1.36 56.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -108.53 -45.78 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.64 -49.41 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 p -71.88 -36.81 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -60.98 -19.06 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -110.26 27.69 9.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.85 -47.57 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.85 -22.65 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.56 -30.01 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.14 99.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.81 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 pttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.727 0.298 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.3 mm -82.8 146.01 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.71 37.83 3.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 53.8 27.41 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.08 -37.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -70.56 -62.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -51.2 -55.95 15.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.484 ' NE2' ' H ' ' A' ' 103' ' ' GLN . 3.7 mp0 -51.92 -50.13 61.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.7 -48.82 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -52.02 -26.58 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.04 -65.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -53.44 -28.49 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.818 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.4 p . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.801 0.334 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -77.26 -55.37 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -23.6 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.14 -168.98 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -95.96 118.25 65.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -16.06 37.29 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -93.98 19.83 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -130.16 -35.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.0 mt -69.81 -24.91 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.93 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.1 62.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.6 -45.37 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.5 mt -54.28 -24.55 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -92.74 -40.96 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.98 -5.85 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 p -119.18 13.23 12.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.57 -13.63 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.18 159.42 65.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 148.03 64.48 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.11 34.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -116.31 -19.06 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -95.52 144.02 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.31 160.05 20.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.657 0.741 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.72 10.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -94.19 28.92 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.76 -40.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -88.01 -20.36 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -51.4 -30.34 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.12 -29.71 20.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.9 mt -75.23 -63.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.4 m -58.38 -44.13 88.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.88 45.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -95.09 -24.94 16.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.54 -33.51 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -66.59 -27.89 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -52.26 172.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -148.65 46.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p 56.52 21.37 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -121.15 -6.82 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -131.66 -2.12 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.98 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -9.79 58.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.43 -44.07 62.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' PHE . 3.4 mp -83.58 -21.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ILE . 34.8 p90 38.16 40.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -140.28 10.94 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.74 -3.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -116.08 -66.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 121.24 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -83.76 2.07 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -106.49 -28.87 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 51.73 42.33 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -93.1 -61.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.06 -44.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -120.72 -176.22 3.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.6 mt -141.45 154.09 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.94 165.44 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.76 -21.21 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.17 -3.84 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.76 21.81 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 mt -109.08 -35.34 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.61 166.62 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 65.19 14.81 9.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.47 -53.05 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.2 mt -55.44 -24.78 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -72.24 -23.75 61.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.79 -46.32 89.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -95.81 -36.97 10.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -88.34 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -93.55 17.35 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.81 4.72 3.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.37 173.48 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.54 -73.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -143.38 160.7 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mt -104.77 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.5 p -105.2 -172.9 2.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 9.78 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.1 p -113.16 -51.16 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.84 -33.03 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -83.11 -49.11 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -51.77 -23.6 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -98.98 33.13 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.06 -40.01 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -116.29 -23.53 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.09 2.94 41.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.88 -10.27 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.748 0.308 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.96 148.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.93 53.51 0.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.76 37.63 17.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -150.91 -52.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.03 -55.02 35.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.32 -55.59 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.415 ' NE2' ' H ' ' A' ' 103' ' ' GLN . 3.9 mp0 -52.25 -34.0 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -79.51 -30.12 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.06 -49.74 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.2 t -57.63 -52.76 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -50.8 -31.62 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.783 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.64 -54.34 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -80.74 -25.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.83 -174.77 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -107.51 141.13 22.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.688 0.756 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -13.78 34.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -87.67 11.13 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -117.33 -48.45 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.52 -26.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.87 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -22.88 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.69 -46.44 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.7 mt -53.73 -27.28 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.86 -21.9 19.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -98.86 20.56 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.2 p -145.76 20.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.74 -14.52 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.86 157.48 63.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.76 48.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 55.89 25.18 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 t -110.57 -21.85 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -95.62 143.61 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -166.46 160.72 12.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -36.74 10.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -92.72 35.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -135.17 -40.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -88.03 -19.5 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -51.26 -32.1 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -87.01 -32.26 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.9 mt -70.11 -61.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.5 p -59.32 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.09 23.42 1.78 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.7 mtm -72.37 -21.64 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -54.19 -32.82 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.81 -26.75 68.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HB3' HD21 ' A' ' 43' ' ' LEU . 5.4 mmpt? -54.57 179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -166.26 44.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t 59.71 26.58 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.13 -0.4 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.478 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -134.42 -24.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 38' ' ' LYS . 10.1 mt -53.38 -26.13 18.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -20.08 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.04 -45.42 92.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.56 -26.41 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.8 p90 37.9 42.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -142.53 13.53 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.52 -5.06 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -118.21 -64.09 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -129.74 171.41 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -121.94 -53.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -65.39 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 49.49 37.23 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.1 t -96.37 -7.86 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.94 -74.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -123.38 165.31 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 mt -91.18 159.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -144.08 160.16 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.74 -22.97 49.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.54 -7.35 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -120.32 25.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 mt -118.57 -34.95 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -59.1 -60.04 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -76.3 46.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -92.18 -64.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.7 mt -56.22 -22.32 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -19.1 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -85.18 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -52.71 -70.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -49.77 -36.88 27.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 62.37 16.58 8.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.49 14.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.14 178.5 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.27 -61.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -164.16 155.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.1 mt -104.96 -174.86 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.1 p -104.85 161.8 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -13.05 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -51.74 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.95 -60.68 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -51.46 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -46.84 -45.19 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -90.35 44.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -122.07 -40.3 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 pp -120.6 -21.54 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.75 -28.45 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.45 -12.26 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.87 -75.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.5 mt -87.26 145.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.62 65.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.61 49.81 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.709 0.29 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.05 -37.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -86.64 -50.0 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.35 -37.37 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.22 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -55.32 -30.54 60.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.3 ttp -64.58 -26.64 68.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -95.71 -51.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -59.23 -23.77 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.813 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.812 0.339 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.24 -55.36 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -10.02 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.49 -175.56 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.61 136.75 19.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.814 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -16.71 37.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -95.97 27.74 3.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -129.5 -35.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -71.8 -26.35 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.61 -33.56 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -29.18 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.28 -46.27 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -56.83 -23.69 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -94.05 -52.86 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.94 -19.43 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 m -125.0 25.22 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.88 -23.53 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.55 160.27 73.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 135.74 31.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 t0 62.25 19.13 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -105.82 -19.11 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -96.25 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.67 158.63 29.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -36.84 10.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -92.93 32.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.96 -40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -82.09 -21.62 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -52.17 -32.87 38.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.03 -32.21 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.87 -60.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 m -59.22 -47.54 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.4 22.29 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mtm -71.07 -25.56 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -53.34 -33.23 52.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.15 -35.08 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -50.61 165.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -143.76 45.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.97 14.05 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -109.62 -14.2 14.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 -1.74 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -40.22 74.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -11.76 25.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.19 -45.91 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mp -84.89 -25.22 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.1 p90 38.4 40.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.86 2.52 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.19 -10.13 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.38 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -144.69 -176.3 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -126.35 3.38 7.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.35 -52.91 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.76 41.88 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 t -108.79 -16.06 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.93 -78.14 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -123.99 163.97 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 mt -93.07 154.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -139.57 160.75 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.04 -23.01 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -77.83 -4.3 45.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -124.34 25.64 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.1 mt -109.9 -46.47 3.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -59.5 165.27 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 56.02 24.61 7.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -83.02 -49.7 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -51.8 -30.33 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -56.09 -26.04 48.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -58.85 -60.54 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -84.96 -57.49 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -48.77 -43.65 38.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 t 61.86 17.48 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.23 -36.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.11 176.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.82 -67.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 t -137.0 161.01 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.56 -176.35 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.6 p -105.05 -176.76 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.45 4.01 33.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -105.4 -57.59 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -53.68 -46.67 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 p -70.83 -46.27 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -54.89 -23.22 17.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.7 t -105.41 25.51 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.97 -39.65 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -115.87 -19.81 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.97 -15.95 42.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.62 93.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.85 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.4 mt -79.7 145.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.72 -91.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.12 12.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.03 -11.99 7.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -109.32 -27.58 9.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -72.56 -37.09 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.66 -35.42 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -76.22 -12.65 60.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.1 ttp -87.34 -26.51 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.54 -60.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.72 -42.12 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.818 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.77 0.319 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.83 -75.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -24.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.11 -170.1 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -106.35 118.17 55.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.731 0.777 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -22.96 31.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -95.48 29.04 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -140.46 -46.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.7 mt -55.51 -25.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.97 -25.5 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.11 -16.21 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.95 -36.82 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.73 -29.44 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -93.54 -22.66 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.12 20.01 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.35 18.43 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -61.3 -18.9 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.92 158.45 84.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 142.83 49.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.45 33.52 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -102.62 -19.87 14.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -95.46 127.05 41.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -142.59 160.26 54.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -37.87 8.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -93.31 33.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -132.16 -40.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -88.58 -17.24 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -51.35 -32.48 25.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -86.81 -31.4 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.2 mt -71.92 -67.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -53.25 -54.23 39.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.54 44.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.7 mtm -97.64 -27.26 14.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -32.97 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -28.56 68.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -50.05 168.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -153.1 49.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.52 24.7 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.11 -8.86 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.38 -8.67 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.9 -68.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -9.31 58.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.8 -46.41 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.85 -21.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 p90 39.47 38.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.19 1.75 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.3 pt -113.88 -40.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -151.29 132.35 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.04 18.79 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -107.67 -37.06 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 55.61 23.27 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -83.26 -26.99 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.63 -49.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.7 -176.79 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.8 mt -127.96 153.84 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.74 167.88 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -58.76 -20.41 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -76.36 -5.61 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -117.82 15.74 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.3 mt -110.21 -22.09 11.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -83.19 -0.28 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.33 45.93 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -90.28 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.3 mt -54.39 -25.33 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -19.32 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -85.07 -58.18 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -71.56 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.55 -40.81 72.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 16.26 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.19 -33.08 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.71 173.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.69 -37.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.38 161.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.26 175.01 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.0 p -75.93 170.36 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.65 -9.76 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 m -95.1 -55.32 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.79 -46.89 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -69.55 -47.37 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -48.32 -45.1 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -92.95 39.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -124.52 -40.05 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 86' ' ' LEU . 2.4 tm? -112.32 -29.58 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.0 -3.17 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.68 -41.53 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.63 20.17 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.5 p30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 pttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.53 148.68 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.62 48.93 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 52.91 28.16 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -140.57 -37.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -70.76 -63.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -50.3 -49.27 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.46 ' NE2' ' H ' ' A' ' 103' ' ' GLN . 3.1 mp0 -51.52 -39.62 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -77.96 -26.11 48.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.6 ttp -68.78 -46.0 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.3 t -79.47 -56.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.07 -22.39 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -76.15 -74.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -25.15 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.37 168.32 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.5 t -87.27 121.06 71.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.679 0.752 . . . . 0.0 110.819 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.16 27.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.32 22.45 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -126.83 -31.96 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mt -66.97 -30.15 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 -34.53 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 -26.31 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.85 -45.82 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -55.41 -24.86 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -91.12 -54.72 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.49 -17.99 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 m -122.0 43.67 2.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -88.39 13.98 10.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.49 161.41 24.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.554 0.692 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.88 29.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.1 22.8 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -116.42 -18.39 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -106.07 127.2 53.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.02 160.05 32.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.686 0.755 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.08 30.14 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -98.03 23.08 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -129.24 -39.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -84.9 -10.49 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -53.87 -28.11 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -95.58 -28.71 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.91 -47.83 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.32 -41.23 49.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.18 22.82 3.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -77.27 -15.51 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -53.38 -33.12 52.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -66.68 -30.07 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -51.83 171.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 p -153.43 41.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 p 59.78 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -119.96 -11.87 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.93 -19.41 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -49.79 -39.32 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -18.92 25.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -50.87 -45.26 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.11 -17.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.6 p90 38.31 41.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -147.52 17.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 pt -118.93 -24.56 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -91.79 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -135.28 -170.7 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -133.02 9.25 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.84 -32.77 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 52.78 34.33 16.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -84.29 -21.8 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.43 -61.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -122.86 -168.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.0 mt -128.45 152.2 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -133.11 164.84 26.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -58.91 -21.69 58.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.62 -8.37 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -115.83 19.01 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.63 -51.28 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -47.93 -39.37 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.21 47.77 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -93.69 -55.56 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.36 -21.29 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.54 -22.99 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -84.71 -63.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -56.51 -53.55 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -86.96 164.66 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -112.13 13.3 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.45 6.9 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.76 123.19 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -108.12 -63.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 t -146.23 150.2 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.46 -173.04 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 p -103.06 -178.86 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.49 -0.84 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 m -101.08 -58.45 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.9 p -72.02 -46.35 57.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -56.58 -23.87 43.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.2 t -100.86 26.22 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.63 -57.24 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -112.15 -25.01 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.15 2.66 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -95.67 -39.66 9.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.41 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.3 pttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.9 mm -83.3 154.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.6 53.89 0.61 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.82 39.97 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.758 0.313 . . . . 0.0 111.079 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -147.84 -37.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -80.05 -51.53 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -56.4 -35.5 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.08 -62.1 1.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -54.47 -28.07 41.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -65.62 -27.03 68.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.4 t -93.44 -49.56 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.818 0.342 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.21 -75.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -22.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.47 ' CD1' ' H ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -91.95 -167.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.47 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 13.7 t -127.27 146.66 58.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.9 m -110.21 16.59 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -128.76 -35.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.65 -20.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.95 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 -19.64 62.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.69 -33.47 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.63 -17.98 63.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -105.84 -50.88 3.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -60.15 -19.47 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -117.6 19.44 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -24.42 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.57 160.56 59.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 147.62 63.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.2 34.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -115.85 -20.92 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -95.61 144.28 26.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.72 160.7 27.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.54 10.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 30.49 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -133.89 -40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -79.51 -19.56 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -53.57 -25.51 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -96.21 -28.32 14.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.9 mt -71.6 -47.41 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.87 -44.47 31.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.19 25.61 2.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.7 mtm -77.52 -18.53 56.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p -53.2 -32.91 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -66.78 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -54.96 177.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -168.45 64.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t 51.65 26.32 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -124.45 -9.74 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.469 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -138.95 -1.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 38' ' ' LYS . 13.7 mt -64.15 -52.23 60.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -5.22 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.76 -48.36 81.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.9 -33.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 58.39 31.64 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -140.37 14.73 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.0 pt -117.93 -16.2 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -105.94 -68.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -155.1 150.15 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -105.04 27.74 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -121.87 -38.21 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 51.49 32.16 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -89.44 -20.72 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.3 -62.58 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -123.29 -171.13 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 mt -128.88 156.22 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -137.22 167.45 21.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.73 -21.5 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.0 -7.18 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD11 ' HG ' ' A' ' 86' ' ' LEU . 14.6 mt -118.55 -56.0 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -46.23 -37.02 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -105.25 46.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -91.68 -57.34 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.95 -22.34 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -16.01 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -55.7 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -76.65 -59.01 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -59.65 -40.66 88.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 63.46 16.83 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.45 -35.84 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.05 173.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -49.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 t -146.06 149.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.12 173.41 6.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.7 p -76.0 179.04 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.12 -3.79 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m -101.55 -51.43 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -52.51 -48.05 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.0 p -71.34 -46.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -55.36 -42.11 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.8 t -88.73 18.05 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -89.18 -47.77 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -115.02 -28.61 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.69 1.53 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.38 -39.0 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.28 -62.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.8 pttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.75 0.31 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.3 mm -74.25 145.51 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.66 51.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.13 43.57 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.731 0.301 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -153.43 -37.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -78.33 -55.55 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.85 -37.14 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -64.97 -38.48 91.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.54 -19.42 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.3 ttp -73.16 -25.77 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -86.61 -36.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.07 -31.13 69.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.794 0.331 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -114.76 -54.54 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -15.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.55 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 121.42 68.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.705 0.764 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -22.85 31.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -95.58 25.16 4.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.76 -34.96 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.3 mt -72.02 -27.47 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -16.37 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.85 -34.72 19.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.68 -21.17 63.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -94.33 -49.72 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.98 -41.3 87.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 m -104.49 29.78 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.29 -23.59 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 159.9 39.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.82 36.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.7 t0 55.36 25.8 7.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -113.23 -11.68 13.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -95.64 126.62 41.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -140.63 161.41 54.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -37.73 8.71 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -94.21 34.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -134.21 -41.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -83.61 -25.58 30.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -52.11 -30.08 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -86.95 -28.34 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mt -74.95 -47.45 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 p -76.21 -54.39 6.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.8 46.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.4 mtm -99.13 -25.94 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -54.5 -36.03 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -27.18 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.5 mmpt? -54.71 178.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -162.27 57.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.58 25.02 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 t -122.21 -5.83 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.525 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -136.92 -5.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 38' ' ' LYS . 1.8 mt -72.87 -67.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -7.93 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.45 -45.46 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.26 -30.57 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 60.43 18.59 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -134.06 2.49 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.2 pt -102.86 -20.26 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.19 -62.93 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -147.42 178.93 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -117.77 -15.4 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.02 -35.67 80.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.36 30.19 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -100.7 -18.66 16.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.52 -29.66 3.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -122.34 -175.21 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mt -139.8 152.41 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -135.53 165.28 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.76 -20.4 49.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -78.22 -3.38 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -123.32 24.1 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.7 mt -116.44 -35.0 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -59.32 -47.59 84.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -78.27 45.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -96.25 -67.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.3 mt -51.8 -26.6 10.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -50.04 -47.13 53.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -51.55 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -57.63 -70.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.51 162.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 8.56 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.25 10.65 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.38 122.14 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -50.14 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 t -145.84 151.67 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mt -105.42 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -76.16 170.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.05 -1.91 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -104.73 -54.44 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.61 -47.55 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.5 p -70.62 -47.79 58.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -49.3 -43.21 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.0 t -92.87 34.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -109.39 -40.1 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 pp -120.88 -21.63 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.14 -6.92 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -10.15 44.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.53 -75.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 pttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.721 0.296 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.3 mm -78.66 153.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.82 29.38 10.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.33 41.24 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.82 -38.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -72.13 -61.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -51.74 -29.59 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -74.84 -49.56 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.78 -23.76 65.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.1 ttm -65.5 -29.6 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.07 -47.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -49.71 -39.76 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.49 -76.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -23.55 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.83 167.15 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -83.89 122.39 76.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.837 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -35.31 12.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 p -91.8 23.72 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.72 -30.73 3.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.4 -31.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.23 -18.25 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.84 -35.81 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.36 -29.77 66.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -98.06 -53.26 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.62 -41.21 69.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 m -101.99 25.58 8.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.85 -26.02 68.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.92 160.46 20.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 134.35 27.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.26 21.64 12.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -106.54 -23.85 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -98.06 152.87 18.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -170.44 159.76 6.12 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -36.96 9.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.14 30.51 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -133.24 -39.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -84.98 -14.67 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -52.88 -28.37 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.06 -30.93 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.1 mt -74.56 -59.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -41.94 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.83 29.61 2.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.1 mtm -83.25 -17.71 41.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.4 p -54.07 -33.24 57.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -65.93 -26.86 67.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -55.29 -178.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 t -166.93 40.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 m 62.37 18.49 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -118.69 -6.25 10.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.15 -17.19 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 38' ' ' LYS . 15.3 mt -54.66 -40.96 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 5.2 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -84.16 -30.66 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -89.16 -31.91 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 t80 49.19 34.46 6.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 mtm-85 -149.93 18.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.6 pt -122.53 -27.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.59 -67.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -173.6 165.59 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.85 -2.63 34.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.77 26.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -23.36 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 t -60.24 -19.37 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.56 -61.09 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -177.52 -168.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.9 mt -127.38 156.51 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -140.91 169.51 17.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -58.86 -23.17 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.8 -8.85 57.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -113.13 16.28 19.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -113.19 -21.04 11.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -83.75 4.42 28.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -132.75 53.69 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -97.62 -58.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.3 mt -52.61 -27.91 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -45.36 84.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -49.72 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.51 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -71.22 123.6 22.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -92.06 18.68 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -131.39 6.14 5.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.26 174.0 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.84 -72.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 t -144.64 160.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.29 -176.61 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.8 p -104.91 163.23 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.61 -16.07 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -51.58 9.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.74 -56.01 24.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.1 p -53.65 -47.51 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -47.77 -45.05 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -90.17 44.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -136.5 -40.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 86' ' ' LEU . 2.5 tm? -113.31 -34.01 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 18.71 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.12 -36.84 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.99 -69.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.0 mm -87.45 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.3 54.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.51 35.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.12 -37.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -74.47 -61.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.68 -24.37 48.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.77 -49.52 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.68 -21.65 65.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.05 -51.48 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.42 -53.44 46.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -57.4 -33.94 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.785 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.775 0.321 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -77.56 -55.39 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -16.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.04 -170.1 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.39 122.55 34.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -11.99 32.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -90.22 15.54 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.29 -34.5 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mt -67.15 -28.06 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.52 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -25.89 67.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.37 -46.11 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.8 mt -55.84 -24.92 39.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -91.76 -56.23 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.35 -41.36 69.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 m -99.15 20.93 12.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.54 -26.04 41.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.07 161.09 51.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.72 65.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.93 32.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -117.68 -21.76 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -95.44 145.57 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -160.66 154.02 18.45 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.676 0.751 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -24.6 29.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.51 27.86 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -134.68 -40.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -85.83 -10.28 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -55.42 -32.49 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.92 -25.12 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.9 mt -79.01 -63.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -55.52 -58.86 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.5 41.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.0 mtm -94.6 -25.71 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 p -54.17 -33.01 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -66.78 -27.21 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HB3' HD21 ' A' ' 43' ' ' LEU . 7.5 mmpt? -50.61 171.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -148.6 34.22 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t 65.79 12.63 8.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -111.31 -10.72 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -117.49 -26.96 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 38' ' ' LYS . 8.8 mt -49.45 -39.97 35.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -12.62 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -57.39 -46.11 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -86.38 -23.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ILE . 30.4 p90 37.02 46.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.87 10.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.89 -3.69 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.3 -66.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.68 139.79 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -104.32 20.06 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -106.52 -46.01 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 55.25 25.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -87.58 -25.97 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.02 -61.72 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -123.01 -169.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.8 mt -128.73 153.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.09 164.43 27.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.94 -21.93 59.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.07 -5.62 52.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -116.96 16.32 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -108.4 -47.11 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -57.37 167.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 60.05 22.0 11.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -50.98 -29.8 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.11 -28.84 19.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -63.14 -70.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -66.85 -54.8 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -47.58 162.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -66.14 -45.46 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.19 59.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.76 -177.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 -71.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -146.76 163.88 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.91 -175.54 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.7 p -105.47 -179.81 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.05 2.85 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -107.36 -47.05 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.9 -47.88 81.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.3 p -72.16 -36.29 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -59.03 -23.47 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.8 t -104.44 31.3 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.27 -47.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.48 -22.94 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.42 -18.98 39.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.03 13.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.58 -42.72 62.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.763 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.2 mm -76.74 155.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.16 55.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.94 28.28 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -136.63 -37.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -75.91 -57.72 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -37.17 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -73.78 -60.21 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -52.14 -29.19 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.8 ttm -65.39 -69.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.6 t -58.13 -36.76 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -56.52 -31.75 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.79 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.733 0.301 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -75.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -24.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.03 -170.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -112.66 120.09 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.729 0.776 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -18.19 37.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -95.08 26.37 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.27 -35.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.9 mt -57.93 -36.04 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.85 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.26 -15.97 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.39 -46.68 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.88 -19.66 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -99.53 -41.85 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -54.39 -45.56 72.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -117.72 38.34 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.77 -16.7 59.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.13 159.77 84.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 137.05 34.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.24 19.58 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 t -108.98 -21.79 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -95.33 144.18 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -155.28 160.27 31.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.59 7.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -92.23 34.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -138.41 -40.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -83.88 -14.7 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -54.16 -27.51 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -89.62 -29.95 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -79.08 -65.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 t -51.47 -38.24 52.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 44.61 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.5 mtm -99.32 -18.41 17.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -54.16 -33.03 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -66.14 -26.68 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.2 -177.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -166.04 41.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p 61.43 18.83 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -120.01 -6.17 10.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 -15.81 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.68 -58.96 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -16.26 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -50.29 -46.97 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mp -83.76 -21.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 36.6 p90 38.99 38.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -140.55 13.81 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.44 4.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.7 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -139.16 103.88 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.63 -15.5 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -81.79 -40.38 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 53.66 27.52 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -77.1 -25.29 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.16 -16.44 1.02 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -163.43 -168.4 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -128.47 154.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -137.0 165.36 26.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -57.71 -20.98 38.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.07 -4.57 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -124.95 25.7 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.6 mt -117.1 -26.47 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 3.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -121.22 44.36 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -91.67 -70.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 74' ' ' ALA . 21.0 mt -53.87 -24.63 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -50.06 -26.63 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -84.76 -70.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -50.24 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -57.86 -30.93 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 t 65.3 14.11 9.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.1 19.79 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 67' ' ' LEU . . . -79.49 126.06 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -74.68 -81.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -149.61 117.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.99 175.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -175.95 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.82 -12.33 36.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.05 -46.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.05 -55.84 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.4 p -54.87 -36.33 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -58.05 -42.72 86.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -90.69 42.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.74 -53.51 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.85 -20.17 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.37 2.39 47.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.1 -10.34 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.94 -67.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.6 mm -61.51 148.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.4 50.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.527 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.6 50.8 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.26 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -76.23 -31.02 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.48 -35.46 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -64.69 -37.92 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.49 -25.54 54.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.1 ttp -67.01 -28.57 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.52 -53.76 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -52.63 -45.15 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.895 0.378 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.6 tp -64.95 -47.26 78.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.9 p -111.98 48.45 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.47 -73.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -24.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.73 -165.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.54 141.14 31.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.751 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -15.4 37.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p -94.58 24.56 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -128.23 -35.27 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.71 -23.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.95 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.6 -18.66 54.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.59 -28.76 8.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.2 mt -70.41 -16.55 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -113.16 -22.34 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.83 -19.3 21.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 m -113.81 23.62 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.67 -23.87 63.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.43 160.79 12.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.05 24.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 57.62 23.56 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -102.51 -25.98 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -95.57 127.07 41.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.31 160.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -36.02 11.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -92.8 30.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -134.52 -40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -80.85 -19.47 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -54.86 -33.71 62.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -83.21 -17.33 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.3 mt -88.86 -60.16 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 p -59.47 -66.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.13 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtm -101.51 2.71 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -79.13 -7.62 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -110.63 7.51 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -61.26 -172.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.408 ' N ' HE22 ' A' ' 42' ' ' GLN . 1.5 m -171.24 35.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m 59.93 19.22 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -123.73 -5.28 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -123.53 -21.57 5.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.49 -70.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -20.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -49.35 -47.66 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -84.45 -22.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 p90 38.01 42.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -143.82 14.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.21 -19.32 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.45 -64.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -156.43 149.77 24.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -95.89 38.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.23 -47.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 51.71 34.79 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 p -95.2 -21.86 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.24 -68.94 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -122.95 -170.03 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.3 mt -129.68 153.11 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.06 165.41 25.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.65 -21.41 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -73.43 -7.63 52.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.59 19.07 14.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.2 mt -119.91 -47.41 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -45.23 -36.68 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -104.67 47.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -92.26 -61.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.1 mt -51.67 -30.15 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -29.0 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -63.87 -73.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -62.56 -55.71 24.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -49.29 162.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.09 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -169.66 64.18 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.26 174.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.55 -62.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -164.4 159.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -105.76 169.51 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -77.14 -171.5 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.68 7.83 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.38 -53.8 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.04 -32.27 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -86.64 -49.17 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -56.6 -21.06 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.4 t -99.56 20.92 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.63 -41.03 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -120.23 -22.55 6.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.33 14.65 25.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.45 -36.99 5.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.54 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -169.66 -179.83 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -124.52 49.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -51.71 -34.47 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.33 -71.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.86 18.97 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.5 18.0 50.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -106.21 145.28 31.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.739 0.304 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.32 146.89 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.78 58.84 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.78 34.46 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.88 -37.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -81.33 -51.76 8.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.05 -37.26 53.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -66.46 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.6 -26.8 23.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.0 ttm -65.07 -49.82 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.73 -48.99 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -58.31 -38.47 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tp -84.82 150.32 25.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 p 50.26 31.55 5.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.57 -74.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -24.42 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.28 -169.9 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.83 116.34 58.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.702 0.763 . . . . 0.0 110.845 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.63 30.53 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -92.26 15.82 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.96 -35.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.9 mt -61.54 -28.2 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.47 62.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.64 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.21 -46.3 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.3 mt -55.61 -25.66 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -94.38 -16.29 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -108.05 19.29 20.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.12 16.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.86 -16.52 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.79 157.13 74.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 144.29 53.54 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 51.21 30.74 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -114.5 -20.63 10.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -95.99 143.85 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.42 158.34 11.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -38.35 7.89 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.97 13.69 12.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -120.02 -33.13 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.35 -20.15 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -52.96 -30.8 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.78 -25.92 26.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.6 mt -78.46 -48.1 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.7 p -76.4 -56.72 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.29 42.49 0.16 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.8 mtm -88.87 -30.76 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.0 -33.29 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -60.49 -34.15 73.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -51.28 169.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 p -144.93 46.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p 58.49 20.41 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -118.73 -12.32 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.2 1.16 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.05 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.83 -45.57 93.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mp -84.18 -23.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.4 p90 38.16 40.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.8 mtm-85 -140.66 11.88 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.7 -5.53 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -111.17 -64.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -152.71 163.42 39.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -115.62 -9.06 12.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.43 -55.52 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 59.92 20.61 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.1 m -77.51 -21.67 52.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.42 -18.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -163.24 -171.08 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -128.97 158.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -147.6 166.63 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.83 -20.37 49.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -81.38 -3.6 53.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -123.49 25.29 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.2 mt -110.3 -49.53 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -58.71 168.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 58.96 27.25 16.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -82.35 -49.48 9.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -55.57 -23.27 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -17.06 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.71 -52.75 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -81.55 -63.71 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -56.51 -39.3 73.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t 63.62 15.93 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.55 -32.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.09 176.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.71 -57.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 t -142.94 157.89 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.6 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 p -107.6 170.25 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.06 -13.38 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -55.37 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.51 -59.24 5.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 p -51.06 -47.18 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -50.66 -44.92 57.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.26 41.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -120.24 -47.49 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -116.96 -23.0 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.38 1.93 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.61 -37.31 13.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -98.5 -10.81 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -59.88 -171.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 61.98 18.8 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.39 -0.51 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.78 -90.52 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -132.59 20.45 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.94 16.87 53.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.39 145.34 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.2 mm -76.27 157.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.66 68.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.59 48.63 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.55 -46.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.16 -46.15 36.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -23.7 50.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.41 ' N ' HE21 ' A' ' 103' ' ' GLN . 0.4 OUTLIER -75.4 -49.8 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.02 -24.92 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.1 ttp -65.59 -26.22 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.47 -53.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -60.18 -30.75 69.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.82 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.942 0.401 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 tp -49.44 -51.15 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -104.61 41.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -76.38 -61.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.51 -168.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -117.52 121.12 32.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -84.63 5.12 29.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.98 -34.99 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.9 mt -62.12 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -31.95 67.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.97 -19.97 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.63 -45.65 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.5 mt -54.28 -27.37 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -88.4 -57.6 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -52.27 -41.87 63.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -105.73 24.42 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.27 -21.94 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.59 159.76 83.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 138.34 37.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 62.11 23.62 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -115.57 -20.03 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -104.04 149.32 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.7 m -160.59 156.85 22.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.55 10.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.29 27.01 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.57 -37.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -86.14 -11.48 52.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -51.88 -33.16 35.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -88.24 -32.02 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.8 mt -70.29 -61.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 p -59.21 -51.91 67.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.62 31.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mtm -83.86 -18.9 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -52.95 -33.18 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -65.21 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -50.64 168.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -150.18 42.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.5 t 59.23 21.77 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -120.44 -12.25 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.58 -17.52 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mt -52.4 -30.49 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -21.05 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.58 -44.04 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.1 mp -82.97 -18.28 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.61 40.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -139.32 9.31 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.3 pt -120.6 -24.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.71 -66.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.21 145.25 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -96.32 20.48 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.36 -44.88 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 51.0 37.26 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -93.59 -14.24 26.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.23 -69.53 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.0 -173.43 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.3 mt -129.12 154.51 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -140.41 172.47 12.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.23 -20.58 42.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.16 -5.28 43.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.0 21.39 11.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 mt -119.75 -18.98 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -82.79 -4.37 57.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -123.14 52.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -96.3 -63.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.1 mt -54.14 -24.36 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.87 -21.25 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.86 -71.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -52.08 -70.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.3 -35.0 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 63.96 15.14 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.55 13.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.9 174.15 11.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.084 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.34 -69.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 t -146.38 156.9 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.11 170.43 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 p -76.65 -177.14 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.28 -19.67 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -85.37 -52.37 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.27 -46.92 55.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.1 p -71.66 -27.47 63.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -70.58 -22.61 62.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.2 t -101.55 28.56 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -105.2 -58.69 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.44 -22.93 7.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.89 -2.03 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.2 -39.81 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -144.84 170.67 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -130.76 37.64 3.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -52.33 -33.7 43.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.8 -78.48 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.81 19.8 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.8 20.78 38.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -75.46 113.17 12.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.3 mm -77.94 145.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.81 54.85 0.66 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.63 29.3 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.93 -37.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -71.61 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.59 -36.73 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -71.73 -58.14 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.94 -27.45 31.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.1 ttm -64.91 -67.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.65 -54.14 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -57.05 -36.66 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 tp -67.78 -71.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 p -96.68 34.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -77.08 -64.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -14.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 -171.06 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 t -104.24 131.38 21.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.743 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.09 29.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -93.72 31.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.63 -46.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.8 mt -59.69 -23.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.99 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.84 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.74 -36.74 11.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.7 mt -60.22 -21.21 61.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -98.88 -41.65 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.72 -5.93 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.1 m -132.42 25.12 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -14.42 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.66 160.23 64.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 140.03 41.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.58 25.21 12.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -115.08 -21.6 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -97.87 149.55 22.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -166.71 160.03 11.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.74 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -37.2 9.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.75 33.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -137.68 -40.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -82.87 -16.08 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -57.94 -27.34 63.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.07 -31.98 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.17 -58.06 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.2 m -58.71 -51.95 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.08 32.64 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -88.0 -20.58 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 p -53.85 -33.58 56.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -66.21 -28.66 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -55.12 178.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -152.64 42.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p 61.44 17.69 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.08 -11.33 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 -12.81 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mt -61.64 -50.7 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -83.2 4.04 28.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -72.08 -45.6 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.08 -39.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.02 33.63 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -139.43 6.22 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.39 -8.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.34 -64.73 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 171.89 15.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -120.46 6.92 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -106.04 -35.69 7.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.93 29.56 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -84.96 -44.44 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.64 -51.24 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -121.78 -179.09 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mt -129.51 156.3 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -134.38 164.47 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -58.71 -20.76 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -79.06 -4.44 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -122.36 24.92 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 mt -113.53 -51.2 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -51.44 170.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 59.54 24.34 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -77.77 -48.81 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.8 mt -56.21 -21.48 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -72.54 -28.49 62.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -54.73 -57.72 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -84.97 -49.6 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -83.34 132.65 34.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -93.17 16.3 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -124.46 -1.41 8.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.94 173.64 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.756 0.312 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.2 -73.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.16 161.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 mt -104.41 -174.82 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.2 p -104.45 -176.99 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.03 -0.56 35.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.032 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.98 -55.69 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.02 -47.37 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -71.73 -45.22 62.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -54.42 -23.28 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.3 t -104.7 28.59 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -47.67 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.29 -23.25 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.3 2.95 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.64 -9.88 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.52 -67.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -144.66 178.15 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -109.15 24.51 13.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -53.71 -41.37 66.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.96 -80.88 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.61 -12.25 9.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.78 25.21 2.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 106.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.87 150.73 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.09 56.49 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.46 32.45 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.59 -58.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -56.16 -56.44 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -54.4 -50.31 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -54.77 -55.19 32.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -53.63 -46.99 70.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.9 ttp -48.99 -27.76 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.5 t -85.15 -50.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -61.06 -22.62 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 -179.795 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.924 0.393 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.6 tp -118.22 152.69 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 p 50.59 40.56 24.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.41 -69.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -62.55 -24.87 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.73 -172.77 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.8 137.87 19.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -13.2 34.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -93.86 22.04 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.13 -50.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mt -61.8 -19.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.93 -26.36 56.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.88 -16.21 62.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.08 -36.31 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.7 mt -57.28 -28.08 62.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -90.89 -21.05 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.04 19.49 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.1 p -146.87 20.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.12 -22.48 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.33 159.79 83.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 111.076 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 132.87 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.352 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.4 t0 57.23 23.44 8.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 t -97.91 -16.39 19.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -95.59 144.28 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -161.09 157.87 23.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.651 0.739 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.01 9.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -92.63 36.57 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -134.87 -39.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -86.03 -18.66 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -51.12 -31.16 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -89.21 -31.71 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 mt -69.65 -62.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 p -59.15 -46.98 86.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.76 27.0 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.433 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.87 -18.23 56.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -32.36 54.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -64.15 -27.64 69.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HB3' HD21 ' A' ' 43' ' ' LEU . 6.1 mmpt? -56.34 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -167.02 50.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m 56.12 23.36 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -121.55 -6.12 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.436 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -133.7 -9.53 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 38' ' ' LYS . 13.4 mt -62.35 -33.82 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -0.45 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.76 -45.0 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.0 -18.76 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.5 p90 37.9 42.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -141.51 11.99 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 pt -122.7 -27.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.42 -67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -144.39 175.17 10.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -133.37 28.78 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -129.83 -46.87 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 51.56 30.18 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -89.42 -58.19 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -148.27 -41.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.92 168.48 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mt -90.11 162.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -152.46 170.04 21.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.68 -23.23 62.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.89 -10.51 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -117.48 27.87 8.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 mt -126.38 -45.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -60.11 -10.8 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -113.74 32.39 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -80.56 -68.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.5 mt -55.57 -24.82 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.99 -28.0 8.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -86.31 -70.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -51.19 -61.19 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.52 170.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -62.19 -34.79 77.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.74 60.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.64 174.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -123.2 -52.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.57 156.41 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.56 170.09 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.3 p -76.9 -174.57 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.08 6.99 33.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.0 m -113.65 -54.14 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.77 -32.33 51.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.4 p -88.93 -34.67 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -69.26 -13.08 62.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.3 t -102.82 24.28 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.81 -59.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.26 -65.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.12 -21.9 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.42 -60.25 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.5 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -156.08 178.33 10.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -140.14 58.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.84 -30.88 25.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.31 -75.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.31 0.04 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.64 21.08 7.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.21 168.3 17.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.0 mm -134.09 150.71 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.51 55.52 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.87 44.47 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -152.28 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.2 -54.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.69 -23.16 62.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.26 -49.35 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.16 -16.11 64.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.3 ttp -73.71 -45.32 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.1 t -78.94 -36.31 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -89.79 2.78 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.915 0.388 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.33 -12.87 61.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 p -98.19 38.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -76.45 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -24.55 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.26 -168.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.46 128.26 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.68 0.752 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -20.06 35.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -94.84 30.14 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.67 -34.96 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -70.03 -26.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.38 -27.04 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 -17.7 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.4 -36.39 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.11 -26.21 36.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -22.52 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.78 20.44 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 p -134.71 7.48 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.88 -21.19 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.96 160.08 76.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.69 26.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 53.58 26.94 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.32 -16.61 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -102.22 144.59 30.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 p -169.09 154.7 6.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.08 34.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -98.47 15.06 26.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -123.16 -40.06 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -81.9 -15.93 52.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -53.47 -28.07 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -94.76 -31.74 13.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.33 -47.87 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.9 p -75.7 -51.5 12.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.57 32.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.551 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtm -83.32 -23.27 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -33.22 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -65.98 -29.46 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 43' ' ' LEU . 6.7 mmpt? -52.6 174.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -153.6 40.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p 63.54 15.95 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -113.68 -10.7 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.13 -9.85 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 38' ' ' LYS . 11.8 mt -64.93 -55.63 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.28 4.94 28.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.0 -45.46 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.0 mp -74.64 -33.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 56.05 38.29 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -147.66 16.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.05 4.14 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.92 -68.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.56 119.42 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -73.59 -56.78 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -71.79 -22.17 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 50.65 31.67 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 p -68.05 -14.1 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.09 8.11 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -175.49 178.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 mt -129.11 152.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -139.51 170.68 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 -57.72 -22.18 45.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.6 -4.85 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -124.24 24.52 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.1 mt -115.18 -46.5 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -10.38 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.08 48.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -96.18 -63.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 mt -53.27 -23.74 9.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.23 -23.89 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -85.41 -72.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -51.93 -60.41 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.0 169.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -70.17 -32.76 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -178.01 58.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.62 173.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -126.76 -71.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.53 156.01 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.36 175.35 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -75.79 178.62 6.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.19 -4.17 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -103.29 -52.24 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.91 -46.55 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 79.3 p -69.33 -47.27 64.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.84 -43.55 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 t -88.17 41.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -120.08 -49.63 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.93 -22.71 7.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.79 9.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.9 -37.99 8.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.96 -71.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.96 179.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -125.95 41.94 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.87 -30.61 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.81 -82.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -139.6 17.32 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 19.43 43.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -105.74 120.2 41.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 42.2 mm -87.17 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.32 -92.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.29 21.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -121.43 -29.33 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -93.97 -45.77 7.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.11 -48.19 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.411 ' NE2' ' H ' ' A' ' 103' ' ' GLN . 2.2 mp0 -49.37 -54.24 18.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.71 -48.18 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.7 ttp -49.92 -27.85 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.51 -49.49 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -50.88 -38.04 47.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tp -78.81 149.12 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p 52.27 31.89 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -77.7 -66.37 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -25.83 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.56 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.47 138.89 20.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -12.67 33.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.23 . . . . 0.0 112.341 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 p -90.25 14.44 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -125.57 -34.6 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.9 mt -67.51 -21.05 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.9 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.66 56.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.17 -31.5 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.5 mt -69.57 -13.44 62.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -107.39 -41.56 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.4 -7.28 53.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 m -126.11 42.32 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.34 -24.1 32.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.31 160.08 61.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.52 37.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 t0 53.84 27.2 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -110.96 -17.53 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -97.8 150.88 20.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -171.76 159.81 4.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.35 29.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -95.58 31.47 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -134.64 -40.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -80.58 -18.59 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -57.77 -30.91 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -92.3 -31.68 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.8 mt -72.37 -59.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -59.26 -55.11 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.23 42.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.5 mtm -98.56 -18.88 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.0 t -53.34 -37.09 62.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -27.6 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HB3' HD21 ' A' ' 43' ' ' LEU . 6.3 mmpt? -55.37 -179.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -161.76 53.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t 52.53 26.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -122.8 -6.07 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.461 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -134.19 -16.16 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 38' ' ' LYS . 11.7 mt -54.47 -45.09 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 4.38 39.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -78.28 -45.28 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -70.61 -29.31 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 54.05 30.1 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -146.13 15.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.6 pt -120.35 -22.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -95.75 -66.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.5 153.06 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -102.78 54.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.08 -54.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.2 31.78 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -90.99 -47.81 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.48 -57.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -158.74 165.43 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.3 mt -90.49 157.72 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -147.53 167.52 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.81 -21.28 41.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.14 -4.29 43.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.24 22.76 7.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.3 mt -108.88 -46.1 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.38 -42.4 82.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -80.44 41.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -90.86 -62.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.8 mt -50.93 -29.29 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -46.17 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.64 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -61.85 -69.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.29 125.94 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -94.79 23.41 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.29 7.76 3.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.25 173.02 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -75.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -145.35 111.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 1.3 mt -53.57 174.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.0 p -76.22 -178.4 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.65 -5.44 55.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.5 -45.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -53.36 -55.54 24.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.1 p -54.7 -48.22 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.05 -44.15 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.67 42.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -120.73 -48.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 pp -116.57 -20.82 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.46 -28.21 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.45 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.96 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.02 -178.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -134.71 68.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.15 -40.66 98.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.93 -61.49 0.29 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -147.88 26.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.28 22.17 77.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -106.21 131.92 52.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 23.7 mm -87.55 145.88 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.34 63.0 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.23 44.21 28.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -149.29 -63.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -57.38 -53.83 53.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -53.41 -47.81 69.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -45.12 -39.4 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.79 -47.27 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.7 ttp -50.95 -27.28 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.26 -49.95 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -55.46 -26.52 42.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.808 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.8 tp -166.37 153.49 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 p 49.8 46.32 24.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -76.69 -61.26 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -25.01 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.58 -174.01 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.28 134.79 20.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.47 35.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -93.84 30.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.06 -35.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.65 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -19.39 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.61 -36.15 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 mt -74.03 -20.83 60.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -22.5 17.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.16 16.2 15.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.5 p -135.99 22.69 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.72 -17.1 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.6 159.75 80.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.699 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.14 24.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.61 25.59 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.04 -12.78 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -95.41 145.82 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -171.94 155.0 3.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.52 34.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.707 2.272 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -99.2 15.35 26.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -122.54 -34.92 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -86.24 -21.22 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.35 -31.31 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -87.12 -32.1 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.0 mt -71.78 -59.98 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 p -59.84 -40.0 87.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.37 17.76 6.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.6 mtm -69.57 -18.29 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 p -53.1 -34.9 58.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -64.44 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -51.9 171.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -151.73 45.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.409 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 43.0 t 58.04 21.32 7.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -118.92 -12.12 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.66 -15.98 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mt -55.56 -32.97 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 9.38 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -87.65 -29.6 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.5 mp -91.7 -21.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.83 39.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -145.61 14.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.12 -2.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -115.86 -65.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -138.72 -174.95 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -131.47 5.85 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -121.21 -38.61 2.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 52.39 29.1 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 t -67.74 -22.86 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.91 -22.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -164.06 -169.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mt -128.31 152.68 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.16 168.23 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -57.95 -21.08 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -75.24 -5.27 43.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -121.34 24.0 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 mt -121.03 -52.33 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.69 -37.58 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -106.04 50.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -94.64 -59.45 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 32.1 mt -51.46 -29.42 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -48.23 -46.26 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -50.66 -71.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -62.75 -72.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.17 164.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -120.18 14.78 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.18 11.9 2.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.88 123.42 27.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.071 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -101.02 -73.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.96 110.95 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 1.3 mt -53.94 171.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -76.77 165.14 25.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.55 -2.02 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.49 -45.81 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.88 -52.35 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.0 p -52.7 -51.02 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -49.82 -44.09 49.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 t -88.67 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -121.56 -48.09 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.05 -22.15 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.29 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 50.58 40.12 22.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -118.18 -15.98 9.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -82.08 -33.32 29.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 158.31 -52.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.535 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.75 19.52 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.34 -12.69 64.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -60.83 137.09 58.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.0 mm -87.25 160.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.3 51.1 0.29 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.96 39.03 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.337 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -150.9 -46.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.97 -50.63 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.97 -34.87 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -65.98 -63.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.23 -25.43 33.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.4 ttm -64.68 -30.36 71.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.75 -48.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.409 ' NE2' ' H ' ' A' ' 40' ' ' SER . 44.3 mm-40 -62.8 -24.98 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tp -138.04 -59.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.2 p -108.7 44.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -77.56 -73.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -25.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.29 -173.3 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.22 136.72 19.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.693 0.758 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -13.88 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.9 p -94.12 24.4 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -123.83 -48.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp -61.69 -24.76 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.24 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.46 -15.64 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.07 -36.31 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.3 mt -74.55 -11.5 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -46.51 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -19.43 51.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.4 m -127.29 23.59 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -59.95 -21.62 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.26 160.26 83.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.53 45.47 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.82 22.6 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -115.86 -19.29 10.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -100.29 143.93 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.25 160.63 21.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.88 9.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -92.43 28.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -132.58 -39.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -80.58 -22.57 40.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.11 -31.71 20.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -86.39 -30.56 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.7 mt -71.84 -47.51 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 m -76.04 -52.9 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.25 32.78 0.66 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mtm -84.71 -23.99 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -53.77 -33.06 54.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.66 -27.67 67.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -57.53 -176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -168.63 56.06 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p 50.55 25.38 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 t -125.65 -10.88 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.54 -7.83 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.39 -69.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -17.83 55.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.11 -47.52 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 mp -83.92 -15.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.7 p90 38.54 39.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.32 13.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.6 pt -117.73 -20.37 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.33 -66.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -156.97 178.88 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -117.43 -14.07 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -65.97 -40.38 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.77 21.91 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 m -86.19 -34.17 20.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.72 -49.79 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.06 -174.42 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -128.61 158.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -136.87 176.09 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.26 -22.38 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.22 -6.11 48.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -115.9 20.39 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.2 mt -114.49 -51.78 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -47.11 -37.94 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.48 47.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 41.2 t80 -92.37 -48.88 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.7 mt -51.8 -30.51 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -26.0 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -57.68 -52.71 64.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -96.39 -61.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -49.56 -46.45 48.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t 63.18 15.59 8.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -130.42 -31.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.21 174.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 t -142.73 152.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -105.61 -173.24 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -103.35 159.96 15.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.53 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.8 -52.06 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.12 -60.58 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 45.9 p -49.28 -47.35 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -48.59 -45.63 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.1 t -90.32 43.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -135.16 -40.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.49 HD12 ' C ' ' A' ' 86' ' ' LEU . 2.6 tm? -112.62 -33.81 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.78 24.33 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -94.69 -48.25 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.93 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -178.29 -170.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -138.24 61.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.19 -44.71 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.2 -74.72 1.0 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -137.58 21.51 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.15 14.72 55.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 122.48 46.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 71.6 mt -86.42 147.43 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.43 -87.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.93 25.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -124.88 -35.58 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -91.72 -45.22 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -49.59 -32.94 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.97 -62.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.26 -25.3 22.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.42 -26.92 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 t -113.65 -68.99 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -29.43 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.798 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.904 0.383 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' THR . 57.5 tp -169.07 155.44 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 2' ' ' LEU . 10.0 t 37.28 43.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.58 -55.49 15.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -22.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -169.45 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -107.62 111.9 62.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.62 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -105.84 21.67 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.91 -35.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.3 mt -61.78 -30.93 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.56 -35.19 75.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.62 -17.38 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.83 -36.85 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -59.46 -26.97 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -52.16 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.87 -41.31 70.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.2 22.67 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -57.01 -30.63 64.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.57 161.16 2.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.529 0.681 . . . . 0.0 111.147 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 138.74 38.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 53.21 27.95 6.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -109.54 -24.63 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -95.74 88.03 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -95.5 159.47 32.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.83 6.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -91.34 36.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -135.5 -40.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -83.45 -20.64 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -51.52 -32.56 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -83.61 -28.43 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mt -78.86 -65.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -51.85 -58.09 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.86 42.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtm -95.94 -30.4 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -53.34 -32.96 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -65.22 -27.89 68.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -174.99 54.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 p 52.89 26.09 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 t -126.03 -8.09 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -135.8 -5.58 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.13 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -51.41 -46.3 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mp -85.19 -21.75 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.3 p90 37.96 42.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.48 15.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -140.07 8.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -130.82 -68.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.36 107.24 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -73.35 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -44.35 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 51.76 30.11 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -121.05 -32.92 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.79 -75.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -170.84 165.86 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.53 152.38 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -150.35 166.64 29.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.15 -23.2 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.59 -6.57 49.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -122.34 25.72 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 mt -113.87 -46.42 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -63.15 -9.5 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -107.69 33.59 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.01 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.8 -25.67 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.66 -25.57 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -86.72 -72.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -56.88 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.01 169.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t -57.3 -50.76 71.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.68 58.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.0 174.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -120.3 -73.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.12 113.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 1.5 mt -54.78 178.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.8 p -75.49 -173.21 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.97 -1.36 56.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -108.53 -45.78 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.64 -49.41 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 p -71.88 -36.81 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -60.98 -19.06 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -110.26 27.69 9.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.85 -47.57 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.85 -22.65 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.56 -30.01 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.14 99.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.81 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -176.0 173.35 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -134.63 84.4 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -106.41 -87.77 1.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.64 22.74 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.9 14.12 47.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -101.72 144.76 30.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.298 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 44.3 mm -82.8 146.01 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.71 37.83 3.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 53.8 27.41 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.08 -37.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -70.56 -62.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -51.2 -55.95 15.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.484 ' NE2' ' H ' ' A' ' 103' ' ' GLN . 3.7 mp0 -51.92 -50.13 61.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.7 -48.82 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -52.02 -26.58 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.04 -65.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -53.44 -28.49 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.818 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.97 -74.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.4 p -100.86 21.25 13.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -77.26 -55.37 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -23.6 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.14 -168.98 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -95.96 118.25 65.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -16.06 37.29 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -93.98 19.83 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -130.16 -35.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.0 mt -69.81 -24.91 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.93 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.1 62.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.6 -45.37 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.5 mt -54.28 -24.55 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -92.74 -40.96 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.98 -5.85 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 p -119.18 13.23 12.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.57 -13.63 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.18 159.42 65.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 148.03 64.48 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.11 34.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -116.31 -19.06 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -95.52 144.02 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.31 160.05 20.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.657 0.741 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.72 10.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -94.19 28.92 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.76 -40.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -88.01 -20.36 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -51.4 -30.34 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.12 -29.71 20.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.9 mt -75.23 -63.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.4 m -58.38 -44.13 88.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.88 45.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -95.09 -24.94 16.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.54 -33.51 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -66.59 -27.89 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -52.26 172.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -148.65 46.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p 56.52 21.37 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -121.15 -6.82 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -131.66 -2.12 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.98 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -9.79 58.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.43 -44.07 62.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' PHE . 3.4 mp -83.58 -21.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ILE . 34.8 p90 38.16 40.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -140.28 10.94 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.74 -3.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -116.08 -66.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 121.24 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -83.76 2.07 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -106.49 -28.87 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 51.73 42.33 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -93.1 -61.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.06 -44.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -120.72 -176.22 3.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.6 mt -141.45 154.09 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.94 165.44 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.76 -21.21 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.17 -3.84 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.76 21.81 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 mt -109.08 -35.34 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.61 166.62 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 65.19 14.81 9.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.47 -53.05 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.2 mt -55.44 -24.78 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -72.24 -23.75 61.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.79 -46.32 89.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -95.81 -36.97 10.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -88.34 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -93.55 17.35 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.81 4.72 3.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.37 173.48 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.54 -73.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -143.38 160.7 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 mt -104.77 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.5 p -105.2 -172.9 2.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 9.78 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.1 p -113.16 -51.16 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.84 -33.03 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 35.6 p -83.11 -49.11 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -51.77 -23.6 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -98.98 33.13 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.06 -40.01 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 pp -116.29 -23.53 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.09 2.94 41.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.88 -10.27 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -150.47 177.04 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -106.4 26.37 9.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -54.03 -36.91 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.76 -80.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -140.23 22.61 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.01 20.37 39.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -70.28 85.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.96 148.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.93 53.51 0.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.76 37.63 17.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -150.91 -52.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.03 -55.02 35.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.32 -55.59 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.415 ' NE2' ' H ' ' A' ' 103' ' ' GLN . 3.9 mp0 -52.25 -34.0 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -79.51 -30.12 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.06 -49.74 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.2 t -57.63 -52.76 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -50.8 -31.62 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.783 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.905 0.383 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.75 135.88 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.9 p 46.76 56.61 6.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.64 -54.34 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 tp -80.74 -25.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.83 -174.77 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -107.51 141.13 22.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.688 0.756 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -13.78 34.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -87.67 11.13 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -117.33 -48.45 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.52 -26.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.87 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -22.88 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.69 -46.44 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.7 mt -53.73 -27.28 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.86 -21.9 19.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -98.86 20.56 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.2 p -145.76 20.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.74 -14.52 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.86 157.48 63.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 111.082 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.76 48.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 55.89 25.18 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 t -110.57 -21.85 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -95.62 143.61 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -166.46 160.72 12.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -36.74 10.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -92.72 35.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -135.17 -40.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -88.03 -19.5 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -51.26 -32.1 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -87.01 -32.26 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.9 mt -70.11 -61.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.5 p -59.32 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.09 23.42 1.78 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.7 mtm -72.37 -21.64 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -54.19 -32.82 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.81 -26.75 68.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HB3' HD21 ' A' ' 43' ' ' LEU . 5.4 mmpt? -54.57 179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -166.26 44.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t 59.71 26.58 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.13 -0.4 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.478 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -134.42 -24.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 HD21 ' HB3' ' A' ' 38' ' ' LYS . 10.1 mt -53.38 -26.13 18.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -20.08 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.04 -45.42 92.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.56 -26.41 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.8 p90 37.9 42.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -142.53 13.53 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.52 -5.06 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -118.21 -64.09 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -129.74 171.41 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -121.94 -53.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -65.39 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 49.49 37.23 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.1 t -96.37 -7.86 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.94 -74.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -123.38 165.31 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 mt -91.18 159.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -144.08 160.16 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.74 -22.97 49.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.54 -7.35 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -120.32 25.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 mt -118.57 -34.95 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -59.1 -60.04 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -76.3 46.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -92.18 -64.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.7 mt -56.22 -22.32 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -19.1 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -85.18 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -52.71 -70.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -49.77 -36.88 27.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 62.37 16.58 8.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.49 14.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.14 178.5 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.27 -61.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -164.16 155.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.1 mt -104.96 -174.86 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.1 p -104.85 161.8 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -13.05 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -51.74 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.95 -60.68 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -51.46 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -46.84 -45.19 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -90.35 44.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -122.07 -40.3 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 pp -120.6 -21.54 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.75 -28.45 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.45 -12.26 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.87 -75.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -151.04 153.59 35.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -96.55 25.88 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.11 -29.72 23.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.26 -64.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -153.36 21.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 23.26 31.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -68.24 94.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.5 mt -87.26 145.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.62 65.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.61 49.81 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.709 0.29 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.05 -37.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -86.64 -50.0 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.35 -37.37 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.22 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -55.32 -30.54 60.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.3 ttp -64.58 -26.64 68.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -95.71 -51.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -59.23 -23.77 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.813 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.897 0.38 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.51 140.81 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.8 p 48.3 56.53 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.24 -55.36 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -10.02 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.49 -175.56 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.61 136.75 19.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.814 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -16.71 37.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -95.97 27.74 3.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -129.5 -35.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -71.8 -26.35 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.61 -33.56 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -29.18 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.28 -46.27 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -56.83 -23.69 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -94.05 -52.86 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.94 -19.43 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 m -125.0 25.22 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.88 -23.53 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.55 160.27 73.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 135.74 31.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 t0 62.25 19.13 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -105.82 -19.11 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -96.25 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.67 158.63 29.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -36.84 10.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -92.93 32.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.96 -40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -82.09 -21.62 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -52.17 -32.87 38.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.03 -32.21 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.87 -60.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 m -59.22 -47.54 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.4 22.29 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mtm -71.07 -25.56 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -53.34 -33.23 52.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.15 -35.08 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -50.61 165.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -143.76 45.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.97 14.05 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -109.62 -14.2 14.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 -1.74 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -40.22 74.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -11.76 25.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.19 -45.91 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mp -84.89 -25.22 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.1 p90 38.4 40.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.86 2.52 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.19 -10.13 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.38 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -144.69 -176.3 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -126.35 3.38 7.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.35 -52.91 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.76 41.88 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 t -108.79 -16.06 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.93 -78.14 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -123.99 163.97 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 mt -93.07 154.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -139.57 160.75 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.04 -23.01 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -77.83 -4.3 45.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -124.34 25.64 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.1 mt -109.9 -46.47 3.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -59.5 165.27 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 56.02 24.61 7.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -83.02 -49.7 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.1 mt -51.8 -30.33 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -56.09 -26.04 48.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -58.85 -60.54 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -84.96 -57.49 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -48.77 -43.65 38.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 t 61.86 17.48 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.23 -36.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.11 176.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.82 -67.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 t -137.0 161.01 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.56 -176.35 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.6 p -105.05 -176.76 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.45 4.01 33.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -105.4 -57.59 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -53.68 -46.67 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 p -70.83 -46.27 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -54.89 -23.22 17.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.7 t -105.41 25.51 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.97 -39.65 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -115.87 -19.81 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.97 -15.95 42.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.62 93.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.85 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.9 -176.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -124.78 48.19 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -53.38 -32.6 50.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.0 -70.41 0.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -147.33 29.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.2 32.32 81.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 101.38 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.4 mt -79.7 145.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.72 -91.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.12 12.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.03 -11.99 7.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -109.32 -27.58 9.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -72.56 -37.09 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.66 -35.42 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -76.22 -12.65 60.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.1 ttp -87.34 -26.51 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.54 -60.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.72 -42.12 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.818 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.4 tp -125.3 154.7 41.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.1 p 49.8 33.1 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.83 -75.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -24.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.11 -170.1 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -106.35 118.17 55.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.731 0.777 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -22.96 31.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -95.48 29.04 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -140.46 -46.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.7 mt -55.51 -25.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.97 -25.5 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.11 -16.21 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.95 -36.82 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.73 -29.44 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -93.54 -22.66 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.12 20.01 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.35 18.43 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -61.3 -18.9 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.92 158.45 84.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 142.83 49.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.45 33.52 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -102.62 -19.87 14.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -95.46 127.05 41.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -142.59 160.26 54.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -37.87 8.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -93.31 33.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -132.16 -40.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -88.58 -17.24 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -51.35 -32.48 25.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -86.81 -31.4 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.2 mt -71.92 -67.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -53.25 -54.23 39.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.54 44.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.7 mtm -97.64 -27.26 14.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -32.97 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -28.56 68.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -50.05 168.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -153.1 49.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.52 24.7 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.11 -8.86 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.38 -8.67 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.9 -68.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -9.31 58.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.8 -46.41 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.85 -21.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 p90 39.47 38.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.19 1.75 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.3 pt -113.88 -40.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -151.29 132.35 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.04 18.79 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -107.67 -37.06 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 55.61 23.27 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -83.26 -26.99 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.63 -49.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.7 -176.79 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.8 mt -127.96 153.84 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.74 167.88 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -58.76 -20.41 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -76.36 -5.61 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -117.82 15.74 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.3 mt -110.21 -22.09 11.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -83.19 -0.28 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.33 45.93 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -90.28 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 19.3 mt -54.39 -25.33 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -19.32 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -85.07 -58.18 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -71.56 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.55 -40.81 72.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 16.26 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.19 -33.08 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.71 173.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.69 -37.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.38 161.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.26 175.01 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.0 p -75.93 170.36 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.65 -9.76 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.8 m -95.1 -55.32 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.79 -46.89 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.8 p -69.55 -47.37 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -48.32 -45.1 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -92.95 39.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -124.52 -40.05 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 86' ' ' LEU . 2.4 tm? -112.32 -29.58 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.0 -3.17 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.68 -41.53 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.63 20.17 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.5 p30 -76.51 71.48 3.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -131.02 8.13 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.62 -21.88 54.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.86 -40.61 1.24 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.92 27.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.31 22.62 78.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -106.35 106.9 17.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.53 148.68 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.62 48.93 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 52.91 28.16 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -140.57 -37.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -70.76 -63.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -50.3 -49.27 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.46 ' NE2' ' H ' ' A' ' 103' ' ' GLN . 3.1 mp0 -51.52 -39.62 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -77.96 -26.11 48.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.6 ttp -68.78 -46.0 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.3 t -79.47 -56.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.07 -22.39 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.919 0.39 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -121.65 -48.17 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -111.32 40.72 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -76.15 -74.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -25.15 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.37 168.32 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.5 t -87.27 121.06 71.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.679 0.752 . . . . 0.0 110.819 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.16 27.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.32 22.45 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -126.83 -31.96 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mt -66.97 -30.15 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 -34.53 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 -26.31 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.85 -45.82 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -55.41 -24.86 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -91.12 -54.72 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.49 -17.99 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 m -122.0 43.67 2.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -88.39 13.98 10.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.49 161.41 24.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.554 0.692 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.88 29.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.1 22.8 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -116.42 -18.39 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -106.07 127.2 53.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.02 160.05 32.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.686 0.755 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.08 30.14 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -98.03 23.08 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -129.24 -39.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -84.9 -10.49 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -53.87 -28.11 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -95.58 -28.71 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.91 -47.83 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.32 -41.23 49.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.18 22.82 3.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -77.27 -15.51 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -53.38 -33.12 52.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -66.68 -30.07 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -51.83 171.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 p -153.43 41.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 p 59.78 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -119.96 -11.87 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.93 -19.41 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mt -49.79 -39.32 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -18.92 25.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -50.87 -45.26 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.11 -17.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.6 p90 38.31 41.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -147.52 17.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 pt -118.93 -24.56 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -91.79 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -135.28 -170.7 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -133.02 9.25 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.84 -32.77 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 52.78 34.33 16.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -84.29 -21.8 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.43 -61.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -122.86 -168.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.0 mt -128.45 152.2 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -133.11 164.84 26.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -58.91 -21.69 58.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.62 -8.37 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -115.83 19.01 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.63 -51.28 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -47.93 -39.37 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.21 47.77 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -93.69 -55.56 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.36 -21.29 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.54 -22.99 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -84.71 -63.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -56.51 -53.55 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -86.96 164.66 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -112.13 13.3 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.45 6.9 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.76 123.19 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -108.12 -63.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 t -146.23 150.2 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.46 -173.04 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.9 p -103.06 -178.86 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.49 -0.84 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 m -101.08 -58.45 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.9 p -72.02 -46.35 57.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -56.58 -23.87 43.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.2 t -100.86 26.22 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.63 -57.24 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 pp -112.15 -25.01 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.15 2.66 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -95.67 -39.66 9.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.41 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -170.9 173.2 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.4 66.14 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.81 -37.32 78.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.0 -57.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.24 26.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.82 25.18 76.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -92.12 127.16 37.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.9 mm -83.3 154.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.6 53.89 0.61 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.82 39.97 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.758 0.313 . . . . 0.0 111.079 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -147.84 -37.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -80.05 -51.53 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -56.4 -35.5 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.08 -62.1 1.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -54.47 -28.07 41.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -65.62 -27.03 68.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.4 t -93.44 -49.56 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tp -65.48 145.34 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p 49.61 44.5 24.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.21 -75.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -22.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' CD1' ' H ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -91.95 -167.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.47 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 13.7 t -127.27 146.66 58.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.9 m -110.21 16.59 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -128.76 -35.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.65 -20.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.95 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 -19.64 62.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.69 -33.47 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -69.63 -17.98 63.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -105.84 -50.88 3.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -60.15 -19.47 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -117.6 19.44 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -24.42 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.57 160.56 59.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 147.62 63.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.2 34.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -115.85 -20.92 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -95.61 144.28 26.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.72 160.7 27.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.54 10.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 30.49 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -133.89 -40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -79.51 -19.56 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -53.57 -25.51 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -96.21 -28.32 14.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 25.9 mt -71.6 -47.41 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.87 -44.47 31.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.19 25.61 2.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.7 mtm -77.52 -18.53 56.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p -53.2 -32.91 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -66.78 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -54.96 177.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -168.45 64.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t 51.65 26.32 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -124.45 -9.74 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.469 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -138.95 -1.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 38' ' ' LYS . 13.7 mt -64.15 -52.23 60.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -5.22 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.76 -48.36 81.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.9 -33.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 58.39 31.64 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -140.37 14.73 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.0 pt -117.93 -16.2 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -105.94 -68.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -155.1 150.15 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -105.04 27.74 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -121.87 -38.21 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 51.49 32.16 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -89.44 -20.72 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.3 -62.58 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -123.29 -171.13 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 mt -128.88 156.22 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -137.22 167.45 21.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.73 -21.5 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.0 -7.18 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD11 ' HG ' ' A' ' 86' ' ' LEU . 14.6 mt -118.55 -56.0 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -46.23 -37.02 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -105.25 46.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -91.68 -57.34 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.2 mt -55.95 -22.34 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -16.01 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -55.7 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -76.65 -59.01 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -59.65 -40.66 88.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 63.46 16.83 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.45 -35.84 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.05 173.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -49.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 t -146.06 149.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.12 173.41 6.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.7 p -76.0 179.04 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.12 -3.79 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 m -101.55 -51.43 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -52.51 -48.05 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.0 p -71.34 -46.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -55.36 -42.11 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.8 t -88.73 18.05 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -89.18 -47.77 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -115.02 -28.61 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.69 1.53 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.38 -39.0 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.28 -62.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -159.33 -173.87 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -148.1 58.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.3 -33.49 73.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.15 -57.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -141.14 25.54 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.54 28.15 72.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -93.24 125.19 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.3 mm -74.25 145.51 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.66 51.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.13 43.57 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.731 0.301 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -153.43 -37.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -78.33 -55.55 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.85 -37.14 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -64.97 -38.48 91.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.54 -19.42 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.3 ttp -73.16 -25.77 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -86.61 -36.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.07 -31.13 69.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.942 0.401 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.8 tp -49.22 162.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.6 p 48.45 62.26 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -114.76 -54.54 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -15.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.55 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 121.42 68.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.705 0.764 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -22.85 31.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -95.58 25.16 4.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.76 -34.96 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.3 mt -72.02 -27.47 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -16.37 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.85 -34.72 19.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.68 -21.17 63.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -94.33 -49.72 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.98 -41.3 87.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 m -104.49 29.78 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.29 -23.59 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.58 159.9 39.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 137.82 36.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.7 t0 55.36 25.8 7.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -113.23 -11.68 13.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -95.64 126.62 41.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -140.63 161.41 54.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -37.73 8.71 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -94.21 34.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -134.21 -41.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -83.61 -25.58 30.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -52.11 -30.08 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -86.95 -28.34 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.4 mt -74.95 -47.45 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 p -76.21 -54.39 6.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.8 46.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.4 mtm -99.13 -25.94 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -54.5 -36.03 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -27.18 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.5 mmpt? -54.71 178.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -162.27 57.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.58 25.02 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 t -122.21 -5.83 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.525 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -136.92 -5.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.411 HD21 ' CB ' ' A' ' 38' ' ' LYS . 1.8 mt -72.87 -67.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -7.93 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.45 -45.46 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.26 -30.57 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 60.43 18.59 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -134.06 2.49 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.2 pt -102.86 -20.26 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -93.19 -62.93 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -147.42 178.93 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -117.77 -15.4 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.02 -35.67 80.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.36 30.19 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -100.7 -18.66 16.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.52 -29.66 3.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -122.34 -175.21 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mt -139.8 152.41 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -135.53 165.28 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.76 -20.4 49.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -78.22 -3.38 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -123.32 24.1 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.7 mt -116.44 -35.0 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -59.32 -47.59 84.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -78.27 45.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -96.25 -67.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.3 mt -51.8 -26.6 10.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -50.04 -47.13 53.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -51.55 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -57.63 -70.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.51 162.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 8.56 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.25 10.65 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.38 122.14 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -50.14 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 t -145.84 151.67 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 mt -105.42 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -76.16 170.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.05 -1.91 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -104.73 -54.44 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.61 -47.55 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 36.5 p -70.62 -47.79 58.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -49.3 -43.21 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.0 t -92.87 34.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -109.39 -40.1 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 pp -120.88 -21.63 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.14 -6.92 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -10.15 44.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.53 -75.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -162.89 -170.18 2.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -135.66 58.86 1.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.66 -28.11 63.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.795 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.69 -92.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -136.17 25.6 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.13 -16.46 11.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -68.82 132.25 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.3 mm -78.66 153.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.82 29.38 10.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.33 41.24 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.82 -38.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -72.13 -61.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -51.74 -29.59 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -74.84 -49.56 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.78 -23.76 65.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.1 ttm -65.5 -29.6 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.07 -47.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -49.71 -39.76 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 tp -165.05 152.54 11.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p 50.19 38.88 18.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.49 -76.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -23.55 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.83 167.15 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.6 m -83.89 122.39 76.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.837 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -35.31 12.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 p -91.8 23.72 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.72 -30.73 3.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mt -67.4 -31.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.23 -18.25 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.84 -35.81 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.36 -29.77 66.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -98.06 -53.26 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.62 -41.21 69.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 m -101.99 25.58 8.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.85 -26.02 68.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.92 160.46 20.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 134.35 27.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.26 21.64 12.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -106.54 -23.85 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -98.06 152.87 18.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -170.44 159.76 6.12 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -36.96 9.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.14 30.51 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -133.24 -39.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -84.98 -14.67 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -52.88 -28.37 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.06 -30.93 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.1 mt -74.56 -59.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.04 -41.94 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.83 29.61 2.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.1 mtm -83.25 -17.71 41.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.4 p -54.07 -33.24 57.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -65.93 -26.86 67.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HB3' HD21 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -55.29 -178.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 t -166.93 40.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 m 62.37 18.49 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -118.69 -6.25 10.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.15 -17.19 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 38' ' ' LYS . 15.3 mt -54.66 -40.96 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 5.2 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -84.16 -30.66 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mp -89.16 -31.91 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 t80 49.19 34.46 6.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 mtm-85 -149.93 18.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.6 pt -122.53 -27.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.59 -67.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -173.6 165.59 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.85 -2.63 34.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.77 26.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -23.36 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 t -60.24 -19.37 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.56 -61.09 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -177.52 -168.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.9 mt -127.38 156.51 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -140.91 169.51 17.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -58.86 -23.17 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.8 -8.85 57.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -113.13 16.28 19.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -113.19 -21.04 11.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -83.75 4.42 28.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -132.75 53.69 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -97.62 -58.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.3 mt -52.61 -27.91 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -45.36 84.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -49.72 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.51 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -71.22 123.6 22.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -92.06 18.68 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -131.39 6.14 5.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.26 174.0 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.84 -72.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.4 t -144.64 160.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.29 -176.61 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.8 p -104.91 163.23 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.61 -16.07 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -51.58 9.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.74 -56.01 24.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 41.1 p -53.65 -47.51 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -47.77 -45.05 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -90.17 44.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -136.5 -40.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 86' ' ' LEU . 2.5 tm? -113.31 -34.01 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 18.71 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.12 -36.84 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.99 -69.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.98 176.46 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -137.68 47.74 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.61 -39.84 58.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.23 -61.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.46 23.9 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.81 -11.69 71.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -57.59 123.42 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.0 mm -87.45 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.3 54.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.51 35.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.12 -37.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -74.47 -61.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -56.68 -24.37 48.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.77 -49.52 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.68 -21.65 65.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.05 -51.48 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.42 -53.44 46.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -57.4 -33.94 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.785 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.52 -48.32 34.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 p -113.66 47.01 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -77.56 -55.39 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.91 -16.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.04 -170.1 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.39 122.55 34.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -11.99 32.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -90.22 15.54 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.29 -34.5 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 mt -67.15 -28.06 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.52 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -25.89 67.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.37 -46.11 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.8 mt -55.84 -24.92 39.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -91.76 -56.23 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.35 -41.36 69.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 m -99.15 20.93 12.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.54 -26.04 41.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.07 161.09 51.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.72 65.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.93 32.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -117.68 -21.76 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -95.44 145.57 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -160.66 154.02 18.45 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.676 0.751 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -24.6 29.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.51 27.86 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -134.68 -40.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -85.83 -10.28 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -55.42 -32.49 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.92 -25.12 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.9 mt -79.01 -63.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -55.52 -58.86 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.5 41.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.0 mtm -94.6 -25.71 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 p -54.17 -33.01 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -66.78 -27.21 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HB3' HD21 ' A' ' 43' ' ' LEU . 7.5 mmpt? -50.61 171.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -148.6 34.22 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t 65.79 12.63 8.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -111.31 -10.72 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -117.49 -26.96 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 38' ' ' LYS . 8.8 mt -49.45 -39.97 35.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -12.62 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -57.39 -46.11 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -86.38 -23.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ILE . 30.4 p90 37.02 46.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -146.87 10.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.89 -3.69 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.3 -66.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.68 139.79 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -104.32 20.06 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -106.52 -46.01 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 55.25 25.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -87.58 -25.97 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.02 -61.72 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -123.01 -169.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.8 mt -128.73 153.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.09 164.43 27.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.94 -21.93 59.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.07 -5.62 52.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -116.96 16.32 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -108.4 -47.11 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -57.37 167.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 60.05 22.0 11.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -50.98 -29.8 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.11 -28.84 19.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -63.14 -70.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -66.85 -54.8 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -47.58 162.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -66.14 -45.46 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.19 59.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.76 -177.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 -71.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -146.76 163.88 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.91 -175.54 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.7 p -105.47 -179.81 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.05 2.85 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -107.36 -47.05 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.9 -47.88 81.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.3 p -72.16 -36.29 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -59.03 -23.47 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 12.8 t -104.44 31.3 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.27 -47.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.2 pp -117.48 -22.94 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -82.42 -18.98 39.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.03 13.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.58 -42.72 62.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -152.51 167.46 28.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -135.32 28.23 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.92 -30.73 59.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.57 -72.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -125.73 -1.21 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.37 16.4 16.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 111.94 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.315 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.2 mm -76.74 155.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.16 55.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.94 28.28 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -136.63 -37.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -75.91 -57.72 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -37.17 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -73.78 -60.21 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -52.14 -29.19 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.8 ttm -65.39 -69.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.6 t -58.13 -36.76 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -56.52 -31.75 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.79 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.911 0.386 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tt -163.16 -52.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 p -103.72 5.61 36.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -75.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -24.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.03 -170.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -112.66 120.09 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.729 0.776 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -18.19 37.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -95.08 26.37 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.27 -35.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.9 mt -57.93 -36.04 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.85 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.26 -15.97 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.39 -46.68 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.88 -19.66 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -99.53 -41.85 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -54.39 -45.56 72.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -117.72 38.34 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.77 -16.7 59.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.13 159.77 84.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 137.05 34.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.24 19.58 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 t -108.98 -21.79 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -95.33 144.18 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -155.28 160.27 31.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.59 7.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -92.23 34.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -138.41 -40.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -83.88 -14.7 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -54.16 -27.51 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -89.62 -29.95 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -79.08 -65.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 t -51.47 -38.24 52.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 44.61 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.5 mtm -99.32 -18.41 17.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -54.16 -33.03 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -66.14 -26.68 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.2 -177.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -166.04 41.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p 61.43 18.83 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -120.01 -6.17 10.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.12 -15.81 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.68 -58.96 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -16.26 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -50.29 -46.97 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mp -83.76 -21.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 36.6 p90 38.99 38.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -140.55 13.81 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.44 4.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.7 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -139.16 103.88 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.63 -15.5 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -81.79 -40.38 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 53.66 27.52 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -77.1 -25.29 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.16 -16.44 1.02 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -163.43 -168.4 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -128.47 154.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -137.0 165.36 26.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -57.71 -20.98 38.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.07 -4.57 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -124.95 25.7 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.6 mt -117.1 -26.47 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 3.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -121.22 44.36 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -91.67 -70.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 74' ' ' ALA . 21.0 mt -53.87 -24.63 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -50.06 -26.63 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -84.76 -70.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -50.24 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -57.86 -30.93 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 t 65.3 14.11 9.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.1 19.79 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 67' ' ' LEU . . . -79.49 126.06 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -74.68 -81.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -149.61 117.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.99 175.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -175.95 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.82 -12.33 36.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.05 -46.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.05 -55.84 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.4 p -54.87 -36.33 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -58.05 -42.72 86.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -90.69 42.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.74 -53.51 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.85 -20.17 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.37 2.39 47.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.1 -10.34 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.94 -67.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -162.21 176.06 11.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -121.62 36.19 4.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -53.9 -35.83 62.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.7 -59.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.04 26.0 1.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.49 17.08 68.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -66.19 101.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 38.6 mm -61.51 148.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.4 50.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.527 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.6 50.8 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.26 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -76.23 -31.02 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.48 -35.46 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -64.69 -37.92 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.49 -25.54 54.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.1 ttp -67.01 -28.57 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.52 -53.76 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -52.63 -45.15 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.815 0.341 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.47 -73.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.736 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -55.47 -24.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -118.73 -165.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -120.54 141.14 31.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.751 . . . . 0.0 110.839 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -15.4 37.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p -94.58 24.56 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -128.23 -35.27 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 7' ' ' SER . 2.9 mp -71.71 -23.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.95 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . . . -60.6 -18.66 54.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.59 -28.76 8.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 67' ' ' LEU . 59.2 mt -70.41 -16.55 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -113.16 -22.34 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.83 -19.3 21.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 m -113.81 23.62 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.67 -23.87 63.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -59.43 160.79 12.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.72 133.05 24.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 57.62 23.56 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -102.51 -25.98 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.668 ' CE2' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -95.57 127.07 41.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.31 160.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -36.02 11.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -92.8 30.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -134.52 -40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.793 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.3 p90 -80.85 -19.47 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -54.86 -33.71 62.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -83.21 -17.33 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 29' ' ' PHE . 12.3 mt -88.86 -60.16 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 p -59.47 -66.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.725 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 155.13 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.404 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 10.7 mtm -101.51 2.71 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -79.13 -7.62 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -110.63 7.51 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -61.26 -172.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -171.24 35.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m 59.93 19.22 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -123.73 -5.28 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.564 ' O ' HD12 ' A' ' 46' ' ' ILE . 8.4 mp0 -123.53 -21.57 5.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 103' ' ' GLN . 20.3 mt -55.49 -70.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -20.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 2.2 tp10 -49.35 -47.66 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.736 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.4 mp -84.45 -22.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 p90 38.01 42.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HB2' HG22 ' A' ' 46' ' ' ILE . 8.4 mtm-85 -143.82 14.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.58 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -118.21 -19.32 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.45 -64.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.41 ' OD1' HD11 ' A' ' 58' ' ' ILE . 1.3 p-10 -156.43 149.77 24.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -95.89 38.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.23 -47.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 51.71 34.79 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 p -95.2 -21.86 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.24 -68.94 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -122.95 -170.03 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.504 HD12 ' HB ' ' A' ' 97' ' ' ILE . 19.3 mt -129.68 153.11 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.06 165.41 25.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.65 -21.41 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -73.43 -7.63 52.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.59 19.07 14.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.607 HD11 ' CD2' ' A' ' 86' ' ' LEU . 11.2 mt -119.91 -47.41 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -45.23 -36.68 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -104.67 47.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -92.26 -61.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 15' ' ' LEU . 28.1 mt -51.67 -30.15 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.498 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -52.42 -29.0 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -63.87 -73.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' HB2' HD11 ' A' ' 15' ' ' LEU . 86.9 m-85 -62.56 -55.71 24.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -49.29 162.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.09 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -169.66 64.18 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' HB3' ' CA ' ' A' ' 68' ' ' GLN . . . -54.26 174.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.548 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -119.55 -62.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -164.4 159.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -105.76 169.51 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -77.14 -171.5 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.68 7.83 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.544 ' O ' HG22 ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.38 -53.8 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.04 -32.27 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 63' ' ' LEU . 51.7 p -86.64 -49.17 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 15.7 ttmm -56.6 -21.06 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 80' ' ' SER . 14.4 t -99.56 20.92 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.63 -41.03 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -120.23 -22.55 6.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -97.33 14.65 25.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -112.45 -36.99 5.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.545 ' HB2' ' CE ' ' A' ' 105' ' ' MET . . . -49.54 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.739 0.304 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 102' ' ' PHE . 19.6 mm -82.32 146.89 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.78 58.84 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.78 34.46 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.88 -37.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' HB2' HD12 ' A' ' 97' ' ' ILE . 17.5 mm-40 -81.33 -51.76 8.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.516 ' HB2' HG21 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -52.05 -37.26 53.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.788 ' HG3' HD12 ' A' ' 43' ' ' LEU . 13.5 mp0 -66.46 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.6 -26.8 23.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.545 ' CE ' ' HB2' ' A' ' 89' ' ' ALA . 28.0 ttm -65.07 -49.82 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.73 -48.99 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 43' ' ' LEU . 3.7 mm100 -58.31 -38.47 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.855 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.658 HG22 HD13 ' A' ' 11' ' ' ILE . 11.9 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.779 0.324 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.57 -74.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.772 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -67.68 -24.42 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.744 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -91.28 -169.9 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.404 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -106.83 116.34 58.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.702 0.763 . . . . 0.0 110.845 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.63 30.53 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -92.26 15.82 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.96 -35.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.793 HG21 ' CD1' ' A' ' 70' ' ' PHE . 14.9 mt -61.54 -28.2 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.47 62.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.64 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -84.21 -46.3 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 71' ' ' GLU . 77.3 mt -55.61 -25.66 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -94.38 -16.29 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -108.05 19.29 20.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.12 16.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.86 -16.52 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -79.79 157.13 74.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.76 144.29 53.54 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 51.21 30.74 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -114.5 -20.63 10.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 67' ' ' LEU . 19.3 t80 -95.99 143.85 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.42 158.34 11.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.77 -38.35 7.89 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.97 13.69 12.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -120.02 -33.13 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.798 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.2 p90 -90.35 -20.15 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -52.96 -30.8 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.78 -25.92 26.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 29' ' ' PHE . 21.6 mt -78.46 -48.1 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.421 ' HB2' HD22 ' A' ' 6' ' ' LEU . 94.7 p -76.4 -56.72 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.29 42.49 0.16 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.744 ' HG2' HD11 ' A' ' 6' ' ' LEU . 4.8 mtm -88.87 -30.76 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.0 -33.29 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -60.49 -34.15 73.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -51.28 169.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 p -144.93 46.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p 58.49 20.41 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -118.73 -12.32 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' HD12 ' A' ' 46' ' ' ILE . 7.0 mp0 -128.2 1.16 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -61.99 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.05 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 10.5 tp10 -61.83 -45.57 93.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.772 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.8 mp -84.18 -23.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.4 p90 38.16 40.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.761 ' HB2' HG22 ' A' ' 46' ' ' ILE . 33.8 mtm-85 -140.66 11.88 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.504 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -122.7 -5.53 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -111.17 -64.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' OD1' HD11 ' A' ' 58' ' ' ILE . 1.1 p-10 -152.71 163.42 39.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -115.62 -9.06 12.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.43 -55.52 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 59.92 20.61 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.1 m -77.51 -21.67 52.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.42 -18.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -163.24 -171.08 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.449 HD11 ' OD1' ' A' ' 51' ' ' ASP . 12.7 mt -128.97 158.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 58' ' ' ILE . 25.0 tt0 -147.6 166.63 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.83 -20.37 49.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -81.38 -3.6 53.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -123.49 25.29 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.666 HD21 HD23 ' A' ' 86' ' ' LEU . 66.2 mt -110.3 -49.53 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 77' ' ' LEU . 2.2 pttm -58.71 168.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 25.7 m-85 58.96 27.25 16.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -82.35 -49.48 9.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.3 mt -55.57 -23.27 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.24 -17.06 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.71 -52.75 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.793 ' CD1' HG21 ' A' ' 11' ' ' ILE . 69.3 m-85 -81.55 -63.71 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB2' HD13 ' A' ' 15' ' ' LEU . 48.1 tp10 -56.51 -39.3 73.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t 63.62 15.93 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.55 -32.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.09 176.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.71 -57.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.568 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 3.9 t -142.94 157.89 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.638 HD23 ' OE1' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -104.6 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 p -107.6 170.25 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.06 -13.38 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -55.37 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.638 ' OE1' HD23 ' A' ' 77' ' ' LEU . 42.8 mt-10 -58.51 -59.24 5.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 63' ' ' LEU . 40.2 p -51.06 -47.18 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 54.6 tttt -50.66 -44.92 57.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.26 41.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 63' ' ' LEU . 1.8 t80 -120.24 -47.49 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.666 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -116.96 -23.0 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.648 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -84.38 1.93 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.61 -37.31 13.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 105' ' ' MET . . . -98.5 -10.81 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.754 0.311 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.785 HG23 ' HB2' ' A' ' 101' ' ' GLU . 10.2 mm -76.27 157.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.66 68.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.7 ' C ' HE22 ' A' ' 103' ' ' GLN . . . 49.59 48.63 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.55 -46.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.785 ' HB2' HG23 ' A' ' 97' ' ' ILE . 7.6 mt-10 -75.16 -46.15 36.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -23.7 50.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.7 HE22 ' C ' ' A' ' 99' ' ' ALA . 3.9 mp0 -75.4 -49.8 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.02 -24.92 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.718 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 10.1 ttp -65.59 -26.22 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.47 -53.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -60.18 -30.75 69.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.82 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 8' ' ' PRO . 21.4 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -76.38 -61.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.619 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -115.51 -168.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -117.52 121.12 32.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.648 ' HA ' HD12 ' A' ' 11' ' ' ILE . 53.2 Cg_endo -69.78 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -84.63 5.12 29.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.98 -34.99 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.787 HG21 ' CD1' ' A' ' 70' ' ' PHE . 7.9 mt -62.12 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -31.95 67.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.97 -19.97 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.63 -45.65 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.608 ' CD2' HD22 ' A' ' 67' ' ' LEU . 72.5 mt -54.28 -27.37 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -88.4 -57.6 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -52.27 -41.87 63.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -105.73 24.42 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -59.27 -21.94 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -70.59 159.76 83.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.2 Cg_endo -69.79 138.34 37.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 62.11 23.62 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -115.57 -20.03 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -104.04 149.32 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.7 m -160.59 156.85 22.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.55 10.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.29 27.01 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.57 -37.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.792 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -86.14 -11.48 52.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -51.88 -33.16 35.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -88.24 -32.02 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.8 mt -70.29 -61.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 p -59.21 -51.91 67.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.619 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 127.62 31.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mtm -83.86 -18.9 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -52.95 -33.18 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -65.21 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HZ2' HG23 ' A' ' 5' ' ' ILE . 6.5 mmpt? -50.64 168.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.443 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 2.7 p -150.18 42.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.5 t 59.23 21.77 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -120.44 -12.25 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.605 ' O ' HD12 ' A' ' 46' ' ' ILE . 7.8 mp0 -122.58 -17.52 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.661 ' HA ' HD11 ' A' ' 49' ' ' ILE . 3.4 mt -52.4 -30.49 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -21.05 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.58 -44.04 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 5' ' ' ILE . 2.1 mp -82.97 -18.28 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.61 40.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.579 ' HB2' HG22 ' A' ' 46' ' ' ILE . 42.6 mtt180 -139.32 9.31 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 43' ' ' LEU . 28.3 pt -120.6 -24.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.71 -66.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' OD1' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -152.21 145.25 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -96.32 20.48 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.36 -44.88 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 51.0 37.26 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -93.59 -14.24 26.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.23 -69.53 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.0 -173.43 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.547 HD11 ' OD1' ' A' ' 51' ' ' ASP . 21.3 mt -129.12 154.51 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -140.41 172.47 12.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.23 -20.58 42.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.16 -5.28 43.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.0 21.39 11.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 85' ' ' PHE . 11.7 mt -119.75 -18.98 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.685 ' HG2' HG21 ' A' ' 82' ' ' THR . 23.1 mttm -82.79 -4.37 57.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -123.14 52.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -96.3 -63.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' A' ' 15' ' ' LEU . 20.1 mt -54.14 -24.36 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 1.7 tt0 -55.87 -21.25 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.86 -71.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.787 ' CD1' HG21 ' A' ' 11' ' ' ILE . 71.7 m-85 -52.08 -70.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.3 -35.0 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 63.96 15.14 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.55 13.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -79.9 174.15 11.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.34 -69.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 t -146.38 156.9 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.11 170.43 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 p -76.65 -177.14 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.28 -19.67 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -85.37 -52.37 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 84' ' ' THR . 5.1 mm-40 -50.27 -46.92 55.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.685 HG21 ' HG2' ' A' ' 64' ' ' LYS . 74.1 p -71.66 -27.47 63.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.617 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.7 tptm -70.58 -22.61 62.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 81' ' ' GLU . 9.2 t -101.55 28.56 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HB2' HD13 ' A' ' 63' ' ' LEU . 2.0 m-85 -105.2 -58.69 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -117.44 -22.93 7.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.662 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -79.89 -2.03 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.2 -39.81 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.4 mttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.687 HG23 ' HB2' ' A' ' 101' ' ' GLU . 18.3 mm -77.94 145.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.81 54.85 0.66 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.63 29.3 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.93 -37.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.687 ' HB2' HG23 ' A' ' 97' ' ' ILE . 27.1 mt-10 -71.61 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.59 -36.73 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.3 mp0 -71.73 -58.14 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.94 -27.45 31.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.1 ttm -64.91 -67.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.65 -54.14 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 39' ' ' SER . 11.3 mm100 -57.05 -36.66 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -77.08 -64.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -70.52 -14.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 -171.06 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 t -104.24 131.38 21.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.743 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.09 29.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -93.72 31.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.63 -46.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.76 HG21 ' CD2' ' A' ' 70' ' ' PHE . 5.8 mt -59.69 -23.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.99 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.84 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -95.74 -36.74 11.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 71' ' ' GLU . 68.7 mt -60.22 -21.21 61.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -98.88 -41.65 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.72 -5.93 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.1 m -132.42 25.12 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -14.42 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -81.66 160.23 64.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.79 140.03 41.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.58 25.21 12.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -115.08 -21.6 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -97.87 149.55 22.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -166.71 160.03 11.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.74 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -37.2 9.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.75 33.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -137.68 -40.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -82.87 -16.08 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.445 ' HB2' HG13 ' A' ' 106' ' ' VAL . 9.1 p90 -57.94 -27.34 63.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.07 -31.98 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.602 ' CG2' ' HB2' ' A' ' 14' ' ' ALA . 12.1 mt -75.17 -58.06 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.2 m -58.71 -51.95 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.08 32.64 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -88.0 -20.58 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 p -53.85 -33.58 56.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -66.21 -28.66 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.549 ' CB ' HD21 ' A' ' 43' ' ' LEU . 5.5 mmpt? -55.12 178.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.432 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 2.6 p -152.64 42.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p 61.44 17.69 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.08 -11.33 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG2' HD11 ' A' ' 5' ' ' ILE . 8.2 mp0 -124.39 -12.81 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 103' ' ' GLN . 5.4 mt -61.64 -50.7 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -83.2 4.04 28.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -72.08 -45.6 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.1 mp -71.08 -39.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.02 33.63 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -139.43 6.22 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -118.39 -8.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.34 -64.73 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 171.89 15.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -120.46 6.92 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -106.04 -35.69 7.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.93 29.56 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -84.96 -44.44 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.64 -51.24 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -121.78 -179.09 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mt -129.51 156.3 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -134.38 164.47 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -58.71 -20.76 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -79.06 -4.44 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -122.36 24.92 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.798 HD21 HD23 ' A' ' 86' ' ' LEU . 44.2 mt -113.53 -51.2 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 77' ' ' LEU . 15.7 pttp -51.44 170.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.655 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 19.6 m-85 59.54 24.34 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -77.77 -48.81 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.8 mt -56.21 -21.48 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 5.8 tt0 -72.54 -28.49 62.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -54.73 -57.72 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.76 ' CD2' HG21 ' A' ' 11' ' ' ILE . 55.1 m-85 -84.97 -49.6 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.753 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.5 tp10 -83.34 132.65 34.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -93.17 16.3 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -124.46 -1.41 8.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.94 173.64 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.756 0.312 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.2 -73.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.655 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 2.9 t -142.16 161.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 64' ' ' LYS . 7.6 mt -104.41 -174.82 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.2 p -104.45 -176.99 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.03 -0.56 35.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.032 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.98 -55.69 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 84' ' ' THR . 5.3 mm-40 -51.02 -47.37 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' HD13 ' A' ' 63' ' ' LEU . 68.3 p -71.73 -45.22 62.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 66.1 tttt -54.42 -23.28 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 81' ' ' GLU . 14.3 t -104.7 28.59 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -47.67 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.798 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -115.29 -23.25 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -85.3 2.95 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.64 -9.88 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -53.52 -67.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.469 HD13 ' OE1' ' A' ' 101' ' ' GLU . 28.5 mm -85.87 150.73 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.09 56.49 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.46 32.45 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.59 -58.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 89.3 mt-10 -56.16 -56.44 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -54.4 -50.31 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.749 ' HA ' HD12 ' A' ' 43' ' ' LEU . 14.1 mp0 -54.77 -55.19 32.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -53.63 -46.99 70.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.9 ttp -48.99 -27.76 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.445 HG13 ' HB2' ' A' ' 30' ' ' PHE . 34.5 t -85.15 -50.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 39' ' ' SER . 14.9 mm100 -61.06 -22.62 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 -179.795 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.693 HG22 HD13 ' A' ' 11' ' ' ILE . 10.4 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.41 -69.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.683 ' CG2' HD11 ' A' ' 46' ' ' ILE . 1.1 tp -62.55 -24.87 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.73 -172.77 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.8 137.87 19.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -13.2 34.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -93.86 22.04 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.13 -50.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.708 HG21 ' CD1' ' A' ' 70' ' ' PHE . 4.8 mt -61.8 -19.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.93 -26.36 56.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.88 -16.21 62.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.08 -36.31 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.552 ' CD2' HD22 ' A' ' 67' ' ' LEU . 55.7 mt -57.28 -28.08 62.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -90.89 -21.05 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.04 19.49 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.1 p -146.87 20.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.12 -22.48 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -70.33 159.79 83.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.2 Cg_endo -69.68 132.87 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.4 t0 57.23 23.44 8.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 t -97.91 -16.39 19.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -95.59 144.28 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -161.09 157.87 23.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.651 0.739 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.01 9.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -92.63 36.57 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -134.87 -39.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.743 ' HA ' HD12 ' A' ' 32' ' ' ILE . 6.0 p90 -86.03 -18.66 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' HG13 ' A' ' 106' ' ' VAL . 10.7 p90 -51.12 -31.16 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -89.21 -31.71 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 29' ' ' PHE . 24.4 mt -69.65 -62.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 p -59.15 -46.98 86.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.76 27.0 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.433 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.87 -18.23 56.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -32.36 54.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -64.15 -27.64 69.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.34 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -167.02 50.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m 56.12 23.36 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -121.55 -6.12 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.573 ' O ' HD12 ' A' ' 46' ' ' ILE . 11.2 mp0 -133.7 -9.53 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' A' ' 103' ' ' GLN . 13.4 mt -62.35 -33.82 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -0.45 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.76 -45.0 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.4 mp -84.0 -18.76 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.5 p90 37.9 42.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.586 ' HB2' HG22 ' A' ' 46' ' ' ILE . 5.2 mtt-85 -141.51 11.99 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 pt -122.7 -27.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.42 -67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -144.39 175.17 10.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -133.37 28.78 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -129.83 -46.87 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 51.56 30.18 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -89.42 -58.19 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -148.27 -41.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.92 168.48 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mt -90.11 162.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -152.46 170.04 21.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.68 -23.23 62.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.89 -10.51 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' ' 63' ' ' LEU . 15.6 mm-40 -117.48 27.87 8.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.972 HD21 HD21 ' A' ' 86' ' ' LEU . 20.6 mt -126.38 -45.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -60.11 -10.8 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -113.74 32.39 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -80.56 -68.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 15' ' ' LEU . 20.5 mt -55.57 -24.82 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -50.99 -28.0 8.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -86.31 -70.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.708 ' CD1' HG21 ' A' ' 11' ' ' ILE . 83.6 m-85 -51.19 -61.19 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.52 170.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -62.19 -34.79 77.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.74 60.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -53.64 174.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.586 ' O ' HG13 ' A' ' 76' ' ' VAL . 1.7 ptt85 -123.2 -52.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -165.57 156.41 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.495 HD21 HD11 ' A' ' 67' ' ' LEU . 3.7 mt -105.56 170.09 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.3 p -76.9 -174.57 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.08 6.99 33.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.0 m -113.65 -54.14 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.77 -32.33 51.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.565 ' O ' HD13 ' A' ' 63' ' ' LEU . 50.4 p -88.93 -34.67 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -69.26 -13.08 62.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 9.3 t -102.82 24.28 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.81 -59.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.972 HD21 HD21 ' A' ' 63' ' ' LEU . 7.3 mt -76.26 -65.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.12 -21.9 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -51.42 -60.25 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.592 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -51.5 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.653 ' O ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.688 HG23 ' HB2' ' A' ' 101' ' ' GLU . 23.0 mm -134.09 150.71 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.51 55.52 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.87 44.47 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -152.28 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.688 ' HB2' HG23 ' A' ' 97' ' ' ILE . 39.1 mt-10 -77.2 -54.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.428 ' HB2' HG21 ' A' ' 97' ' ' ILE . 1.1 t80 -59.69 -23.16 62.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.639 ' HG3' HD12 ' A' ' 43' ' ' LEU . 2.9 mp0 -76.26 -49.35 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.16 -16.11 64.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.592 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 10.3 ttp -73.71 -45.32 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 30' ' ' PHE . 45.1 t -78.94 -36.31 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -89.79 2.78 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.539 ' CG2' HD13 ' A' ' 11' ' ' ILE . 10.2 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.816 0.341 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -76.45 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.452 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -56.38 -24.55 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -116.26 -168.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.46 128.26 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.68 0.752 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -20.06 35.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -94.84 30.14 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.67 -34.96 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.58 HG21 ' CG ' ' A' ' 70' ' ' PHE . 4.2 mp -70.03 -26.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.38 -27.04 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 -17.7 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.621 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -107.4 -36.39 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.745 ' CD2' HD22 ' A' ' 67' ' ' LEU . 84.4 mt -55.11 -26.21 36.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -22.52 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.78 20.44 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 p -134.71 7.48 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -58.88 -21.19 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -67.96 160.08 76.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.72 133.69 26.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 53.58 26.94 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.32 -16.61 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 67' ' ' LEU . 16.2 t80 -102.22 144.59 30.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 p -169.09 154.7 6.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.08 34.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -98.47 15.06 26.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -123.16 -40.06 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.725 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.1 p90 -81.9 -15.93 52.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -53.47 -28.07 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -94.76 -31.74 13.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 29' ' ' PHE . 16.5 mt -69.33 -47.87 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.9 p -75.7 -51.5 12.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 126.57 32.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.551 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtm -83.32 -23.27 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -33.22 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -65.98 -29.46 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.568 ' CB ' HD21 ' A' ' 43' ' ' LEU . 6.7 mmpt? -52.6 174.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -153.6 40.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p 63.54 15.95 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -113.68 -10.7 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.502 ' O ' HD12 ' A' ' 46' ' ' ILE . 8.5 mp0 -127.13 -9.85 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' A' ' 103' ' ' GLN . 11.8 mt -64.93 -55.63 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.28 4.94 28.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.0 -45.46 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 42' ' ' GLN . 4.0 mp -74.64 -33.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 56.05 38.29 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 46' ' ' ILE . 33.2 mtm180 -147.66 16.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -135.05 4.14 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.92 -68.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.56 119.42 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -73.59 -56.78 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -71.79 -22.17 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 50.65 31.67 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 p -68.05 -14.1 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.09 8.11 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -175.49 178.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 mt -129.11 152.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -139.51 170.68 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 -57.72 -22.18 45.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.6 -4.85 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -124.24 24.52 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 86' ' ' LEU . 29.1 mt -115.18 -46.5 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -10.38 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.08 48.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -96.18 -63.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.745 HD22 ' CD2' ' A' ' 15' ' ' LEU . 26.0 mt -53.27 -23.74 9.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.576 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 tt0 -53.23 -23.89 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -85.41 -72.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.58 ' CG ' HG21 ' A' ' 11' ' ' ILE . 71.6 m-85 -51.93 -60.41 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.0 169.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -70.17 -32.76 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -178.01 58.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -53.62 173.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -126.76 -71.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.53 156.01 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.36 175.35 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -75.79 178.62 6.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.19 -4.17 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -103.29 -52.24 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.91 -46.55 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.531 ' O ' HD13 ' A' ' 63' ' ' LEU . 79.3 p -69.33 -47.27 64.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.84 -43.55 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 t -88.17 41.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 63' ' ' LEU . 17.4 t80 -120.08 -49.63 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -117.93 -22.71 7.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.643 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -92.79 9.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.9 -37.99 8.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.683 ' HB3' HD11 ' A' ' 97' ' ' ILE . . . -50.96 -71.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 pttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 89' ' ' ALA . 42.2 mm -87.17 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.32 -92.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.29 21.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -121.43 -29.33 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -93.97 -45.77 7.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.11 -48.19 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.817 ' HG3' HD12 ' A' ' 43' ' ' LEU . 2.2 mp0 -49.37 -54.24 18.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.71 -48.18 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.7 ttp -49.92 -27.85 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.51 -49.49 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -50.88 -38.04 47.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.707 HG22 ' CD1' ' A' ' 11' ' ' ILE . 3.2 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -77.7 -66.37 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -66.62 -25.83 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -115.56 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.47 138.89 20.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HB3' HG21 ' A' ' 3' ' ' THR . 53.5 Cg_endo -69.79 -12.67 33.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.23 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 p -90.25 14.44 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -125.57 -34.6 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.779 HG21 ' CD1' ' A' ' 70' ' ' PHE . 11.9 mt -67.51 -21.05 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.9 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.66 56.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.17 -31.5 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 70' ' ' PHE . 69.5 mt -69.57 -13.44 62.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -107.39 -41.56 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.4 -7.28 53.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 m -126.11 42.32 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.34 -24.1 32.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.31 160.08 61.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.78 138.52 37.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 t0 53.84 27.2 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -110.96 -17.53 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 67' ' ' LEU . 46.8 t80 -97.8 150.88 20.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -171.76 159.81 4.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.35 29.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -95.58 31.47 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -134.64 -40.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.2 p90 -80.58 -18.59 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -57.77 -30.91 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -92.3 -31.68 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 29' ' ' PHE . 25.8 mt -72.37 -59.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -59.26 -55.11 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.704 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 130.23 42.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.5 mtm -98.56 -18.88 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.0 t -53.34 -37.09 62.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -27.6 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -55.37 -179.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -161.76 53.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t 52.53 26.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -122.8 -6.07 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -134.19 -16.16 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.808 HD12 ' HG3' ' A' ' 103' ' ' GLN . 11.7 mt -54.47 -45.09 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.564 ' HA ' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -86.37 4.38 39.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -78.28 -45.28 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.502 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.0 mp -70.61 -29.31 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 54.05 30.1 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -146.13 15.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 43' ' ' LEU . 19.6 pt -120.35 -22.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 44' ' ' LYS . 1.3 mt -95.75 -66.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.5 153.06 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -102.78 54.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.08 -54.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.2 31.78 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -90.99 -47.81 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.48 -57.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -158.74 165.43 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.596 HD12 ' HB ' ' A' ' 97' ' ' ILE . 12.3 mt -90.49 157.72 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 58' ' ' ILE . 9.1 tp10 -147.53 167.52 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.81 -21.28 41.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.14 -4.29 43.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.24 22.76 7.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.696 HD11 ' CD2' ' A' ' 86' ' ' LEU . 58.3 mt -108.88 -46.1 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.38 -42.4 82.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -80.44 41.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' HD1' HD23 ' A' ' 67' ' ' LEU . 46.5 t80 -90.86 -62.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD23 ' HD1' ' A' ' 66' ' ' PHE . 20.8 mt -50.93 -29.29 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -46.17 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.64 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.779 ' CD1' HG21 ' A' ' 11' ' ' ILE . 61.9 m-85 -61.85 -69.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.559 ' HB2' HD13 ' A' ' 15' ' ' LEU . 11.1 tt0 -67.29 125.94 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -94.79 23.41 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.29 7.76 3.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.25 173.02 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -75.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -145.35 111.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.3 mt -53.57 174.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.0 p -76.22 -178.4 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.65 -5.44 55.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.5 -45.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -53.36 -55.54 24.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 63' ' ' LEU . 73.1 p -54.7 -48.22 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 20.7 tptm -50.05 -44.15 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.67 42.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' CD1' HD22 ' A' ' 63' ' ' LEU . 19.6 t80 -120.73 -48.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 63' ' ' LEU . 4.0 pp -116.57 -20.82 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.657 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -89.46 -28.21 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.45 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.96 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 pttm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.777 0.322 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.596 ' HB ' HD12 ' A' ' 58' ' ' ILE . 23.7 mm -87.55 145.88 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.34 63.0 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.23 44.21 28.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -149.29 -63.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HB2' HD12 ' A' ' 97' ' ' ILE . 78.2 mm-40 -57.38 -53.83 53.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.444 ' HB2' HG21 ' A' ' 97' ' ' ILE . 7.5 t80 -53.41 -47.81 69.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.808 ' HG3' HD12 ' A' ' 43' ' ' LEU . 1.8 mp0 -45.12 -39.4 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.79 -47.27 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.7 ttp -50.95 -27.28 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.26 -49.95 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -55.46 -26.52 42.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.808 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.571 ' CG2' HD13 ' A' ' 11' ' ' ILE . 14.6 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.769 0.319 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -76.69 -61.26 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.581 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -67.59 -25.01 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.58 -174.01 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -100.28 134.79 20.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.47 35.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -93.84 30.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.06 -35.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.571 HD13 ' CG2' ' A' ' 3' ' ' THR . 4.1 mp -67.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.65 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -19.39 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -90.61 -36.15 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.506 ' CD2' HD22 ' A' ' 67' ' ' LEU . 50.8 mt -74.03 -20.83 60.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -22.5 17.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.16 16.2 15.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.5 p -135.99 22.69 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.72 -17.1 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -75.6 159.75 80.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.699 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.75 133.14 24.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.61 25.59 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.04 -12.78 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.733 ' CE2' HD21 ' A' ' 67' ' ' LEU . 31.5 t80 -95.41 145.82 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -171.94 155.0 3.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.52 34.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.707 2.272 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -99.2 15.35 26.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -122.54 -34.92 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.712 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.5 p90 -86.24 -21.22 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.35 -31.31 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -87.12 -32.1 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.0 mt -71.78 -59.98 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 p -59.84 -40.0 87.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.37 17.76 6.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.6 mtm -69.57 -18.29 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 p -53.1 -34.9 58.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -64.44 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.516 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.3 mmpt? -51.9 171.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.433 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 4.1 m -151.73 45.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 t 58.04 21.32 7.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -118.92 -12.12 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 46' ' ' ILE . 8.2 mp0 -124.66 -15.98 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 103' ' ' GLN . 3.0 mt -55.56 -32.97 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 9.38 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -87.65 -29.6 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 42' ' ' GLN . 2.5 mp -91.7 -21.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.83 39.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.599 ' HB2' HG22 ' A' ' 46' ' ' ILE . 62.0 mtt180 -145.61 14.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -127.12 -2.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' A' ' 102' ' ' PHE . 3.4 mt -115.86 -65.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -138.72 -174.95 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -131.47 5.85 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -121.21 -38.61 2.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 52.39 29.1 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 t -67.74 -22.86 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.91 -22.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -164.06 -169.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.595 HD12 HG13 ' A' ' 97' ' ' ILE . 24.4 mt -128.31 152.68 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.16 168.23 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -57.95 -21.08 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -75.24 -5.27 43.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -121.34 24.0 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 86' ' ' LEU . 16.0 mt -121.03 -52.33 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.69 -37.58 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -106.04 50.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -94.64 -59.45 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.733 HD21 ' CE2' ' A' ' 24' ' ' PHE . 32.1 mt -51.46 -29.42 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.578 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 3.6 tt0 -48.23 -46.26 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -50.66 -71.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -62.75 -72.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.17 164.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -120.18 14.78 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.18 11.9 2.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.88 123.42 27.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.071 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -101.02 -73.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.96 110.95 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.632 HD11 ' HG ' ' A' ' 67' ' ' LEU . 1.3 mt -53.94 171.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.422 HG23 ' OE1' ' A' ' 81' ' ' GLU . 43.5 p -76.77 165.14 25.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.55 -2.02 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.49 -45.81 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.422 ' OE1' HG23 ' A' ' 78' ' ' THR . 35.1 mt-10 -54.88 -52.35 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.508 ' O ' HD13 ' A' ' 63' ' ' LEU . 81.0 p -52.7 -51.02 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 24.6 ttpt -49.82 -44.09 49.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 t -88.67 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.551 ' HD2' HD22 ' A' ' 63' ' ' LEU . 2.3 t80 -121.56 -48.09 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 63' ' ' LEU . 4.1 pp -118.05 -22.15 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.667 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.29 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 pttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.595 HG13 HD12 ' A' ' 58' ' ' ILE . 8.0 mm -87.25 160.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.3 51.1 0.29 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.96 39.03 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.337 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -150.9 -46.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.696 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 12.2 mm-40 -71.97 -50.63 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.501 ' CG ' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -52.97 -34.87 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.867 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.2 mp0 -65.98 -63.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.23 -25.43 33.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.4 ttm -64.68 -30.36 71.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.75 -48.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 39' ' ' SER . 11.1 mm100 -62.8 -24.98 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.617 HG22 HD13 ' A' ' 11' ' ' ILE . 69.2 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -77.56 -73.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.686 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -58.05 -25.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.29 -173.3 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.22 136.72 19.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.693 0.758 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.506 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.4 Cg_endo -69.81 -13.88 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.9 p -94.12 24.4 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -123.83 -48.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.617 HD13 HG22 ' A' ' 3' ' ' THR . 4.9 mp -61.69 -24.76 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.24 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.46 -15.64 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 29' ' ' PHE . . . -93.07 -36.31 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD13 ' HB2' ' A' ' 71' ' ' GLU . 46.3 mt -74.55 -11.5 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -46.51 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -19.43 51.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.4 m -127.29 23.59 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -59.95 -21.62 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -72.26 160.26 83.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.76 141.53 45.47 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.82 22.6 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -115.86 -19.29 10.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 67' ' ' LEU . 53.5 t80 -100.29 143.93 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.25 160.63 21.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.88 9.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -92.43 28.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -132.58 -39.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.2 p90 -80.58 -22.57 40.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.11 -31.71 20.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -86.39 -30.56 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.7 mt -71.84 -47.51 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 m -76.04 -52.9 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.25 32.78 0.66 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.418 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 7.0 mtm -84.71 -23.99 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -53.77 -33.06 54.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.66 -27.67 67.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 35' ' ' MET . 2.9 mmpt? -57.53 -176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -168.63 56.06 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p 50.55 25.38 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 t -125.65 -10.88 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.468 ' O ' HD12 ' A' ' 46' ' ' ILE . 9.1 mp0 -131.54 -7.83 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.39 -69.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -17.83 55.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.11 -47.52 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.686 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.6 mp -83.92 -15.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.7 p90 38.54 39.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.683 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -144.32 13.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.501 HG22 ' HZ ' ' A' ' 70' ' ' PHE . 45.6 pt -117.73 -20.37 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 102' ' ' PHE . 5.2 mt -91.33 -66.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -156.97 178.88 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -117.43 -14.07 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -65.97 -40.38 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.77 21.91 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 m -86.19 -34.17 20.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.72 -49.79 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.06 -174.42 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HB ' HD23 ' A' ' 86' ' ' LEU . 9.8 mt -128.61 158.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 58' ' ' ILE . 3.4 tt0 -136.87 176.09 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.26 -22.38 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.22 -6.11 48.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -115.9 20.39 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 86' ' ' LEU . 18.2 mt -114.49 -51.78 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -47.11 -37.94 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.48 47.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 41.2 t80 -92.37 -48.88 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 77' ' ' LEU . 34.7 mt -51.8 -30.51 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -26.0 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -57.68 -52.71 64.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.77 ' HB2' HD11 ' A' ' 15' ' ' LEU . 24.5 m-85 -96.39 -61.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.836 ' HB2' HD13 ' A' ' 15' ' ' LEU . 7.2 tp10 -49.56 -46.45 48.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t 63.18 15.59 8.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -130.42 -31.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.21 174.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 t -142.73 152.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 67' ' ' LEU . 7.2 mt -105.61 -173.24 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -103.35 159.96 15.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.53 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.8 -52.06 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.12 -60.58 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' HD13 ' A' ' 63' ' ' LEU . 45.9 p -49.28 -47.35 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -48.59 -45.63 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.5 ' HA ' ' HB2' ' A' ' 88' ' ' ALA . 9.1 t -90.32 43.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -135.16 -40.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.688 ' CB ' HD11 ' A' ' 63' ' ' LEU . 2.6 tm? -112.62 -33.81 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.78 24.33 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -94.69 -48.25 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.93 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.654 HG23 ' HB2' ' A' ' 101' ' ' GLU . 71.6 mt -86.42 147.43 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.43 -87.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.93 25.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -124.88 -35.58 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.654 ' HB2' HG23 ' A' ' 97' ' ' ILE . 27.4 mt-10 -91.72 -45.22 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.604 ' CE1' HD23 ' A' ' 50' ' ' LEU . 5.5 t80 -49.59 -32.94 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.97 -62.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.26 -25.3 22.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.42 -26.92 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 t -113.65 -68.99 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -64.56 -29.43 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.798 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.783 0.325 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.58 -55.49 15.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.82 -22.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -94.19 -169.45 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -107.62 111.9 62.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.62 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -105.84 21.67 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.91 -35.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 70' ' ' PHE . 15.3 mt -61.78 -30.93 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.56 -35.19 75.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.62 -17.38 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.83 -36.85 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' CD2' HD22 ' A' ' 67' ' ' LEU . 48.7 mt -59.46 -26.97 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -52.16 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.87 -41.31 70.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.2 22.67 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -57.01 -30.63 64.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -54.57 161.16 2.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.529 0.681 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.72 138.74 38.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 53.21 27.95 6.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -109.54 -24.63 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CE2' HD21 ' A' ' 67' ' ' LEU . 15.5 t80 -95.74 88.03 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -95.5 159.47 32.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.83 6.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -91.34 36.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -135.5 -40.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.801 ' HA ' HD12 ' A' ' 32' ' ' ILE . 5.5 p90 -83.45 -20.64 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -51.52 -32.56 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -83.61 -28.43 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 29' ' ' PHE . 10.7 mt -78.86 -65.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -51.85 -58.09 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.86 42.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.78 ' HG2' HD11 ' A' ' 6' ' ' LEU . 3.0 mtm -95.94 -30.4 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -53.34 -32.96 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -65.22 -27.89 68.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -174.99 54.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.403 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 p 52.89 26.09 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 t -126.03 -8.09 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -135.8 -5.58 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 40' ' ' SER . 6.7 mt -64.13 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -51.41 -46.3 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.73 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.7 mp -85.19 -21.75 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.3 p90 37.96 42.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.687 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -144.48 15.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.07 8.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.64 HD22 ' OE1' ' A' ' 103' ' ' GLN . 9.8 mt -130.82 -68.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.36 107.24 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -73.35 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -44.35 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 51.76 30.11 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -121.05 -32.92 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.79 -75.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -170.84 165.86 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.53 152.38 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -150.35 166.64 29.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.15 -23.2 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.59 -6.57 49.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -122.34 25.72 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 85' ' ' PHE . 58.0 mt -113.87 -46.42 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -63.15 -9.5 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -107.69 33.59 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.01 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 15' ' ' LEU . 16.5 mt -51.8 -25.67 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -50.66 -25.57 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -86.72 -72.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.482 ' CE1' HD13 ' A' ' 11' ' ' ILE . 83.8 m-85 -56.88 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.01 169.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t -57.3 -50.76 71.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.68 58.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.0 174.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -120.3 -73.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.12 113.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 64' ' ' LYS . 1.5 mt -54.78 178.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.8 p -75.49 -173.21 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.97 -1.36 56.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -108.53 -45.78 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 84' ' ' THR . 9.7 mm-40 -52.64 -49.41 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 p -71.88 -36.81 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 53.3 tptt -60.98 -19.06 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 81' ' ' GLU . 15.4 t -110.26 27.69 9.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.521 ' HB2' HD13 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -105.85 -47.57 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.657 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -115.85 -22.65 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -81.56 -30.01 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.14 99.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.81 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 pttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.727 0.298 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.522 HG22 ' H ' ' A' ' 99' ' ' ALA . 44.3 mm -82.8 146.01 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.71 37.83 3.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.522 ' H ' HG22 ' A' ' 97' ' ' ILE . . . 53.8 27.41 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.08 -37.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -70.56 -62.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -51.2 -55.95 15.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.64 ' OE1' HD22 ' A' ' 50' ' ' LEU . 3.7 mp0 -51.92 -50.13 61.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.7 -48.82 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -52.02 -26.58 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.04 -65.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -53.44 -28.49 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.818 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 11' ' ' ILE . 66.4 p . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.801 0.334 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -77.26 -55.37 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.692 HG21 HD11 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -57.42 -23.6 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.445 HD21 ' C ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -121.14 -168.98 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -95.96 118.25 65.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -16.06 37.29 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -93.98 19.83 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -130.16 -35.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.738 HD13 HG22 ' A' ' 3' ' ' THR . 12.0 mt -69.81 -24.91 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.93 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.1 62.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.6 -45.37 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 71' ' ' GLU . 34.5 mt -54.28 -24.55 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -92.74 -40.96 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.98 -5.85 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 p -119.18 13.23 12.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.57 -13.63 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -82.18 159.42 65.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.71 148.03 64.48 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.11 34.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -116.31 -19.06 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CD2' HD21 ' A' ' 67' ' ' LEU . 37.1 t80 -95.52 144.02 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.31 160.05 20.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.657 0.741 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.72 10.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -94.19 28.92 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.76 -40.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.723 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.0 p90 -88.01 -20.36 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -51.4 -30.34 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.12 -29.71 20.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.9 mt -75.23 -63.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.4 m -58.38 -44.13 88.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 113.88 45.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -95.09 -24.94 16.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.54 -33.51 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HG3' ' HE3' ' A' ' 38' ' ' LYS . 6.9 ptpt -66.59 -27.89 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.561 ' CB ' HD21 ' A' ' 43' ' ' LEU . 4.7 mmpt? -52.26 172.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.428 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 2.8 p -148.65 46.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p 56.52 21.37 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -121.15 -6.82 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 11.3 mp0 -131.66 -2.12 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 103' ' ' GLN . 4.0 mt -70.98 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -9.79 58.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.43 -44.07 62.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.701 HG22 ' HB2' ' A' ' 48' ' ' ARG . 3.4 mp -83.58 -21.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ILE . 34.8 p90 38.16 40.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.701 ' HB2' HG22 ' A' ' 46' ' ' ILE . 19.4 mtm180 -140.28 10.94 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -125.74 -3.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -116.08 -66.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 121.24 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -83.76 2.07 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -106.49 -28.87 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 51.73 42.33 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -93.1 -61.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.06 -44.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -120.72 -176.22 3.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.6 mt -141.45 154.09 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.94 165.44 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.76 -21.21 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.17 -3.84 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.76 21.81 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 86' ' ' LEU . 54.8 mt -109.08 -35.34 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.61 166.62 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 65.19 14.81 9.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.47 -53.05 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD21 ' CD2' ' A' ' 24' ' ' PHE . 40.2 mt -55.44 -24.78 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.709 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 7.7 tt0 -72.24 -23.75 61.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.79 -46.32 89.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 15' ' ' LEU . 84.5 m-85 -95.81 -36.97 10.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.711 ' HB2' HD13 ' A' ' 15' ' ' LEU . 14.9 tt0 -88.34 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -93.55 17.35 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.81 4.72 3.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -79.37 173.48 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.54 -73.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 77' ' ' LEU . 3.2 t -143.38 160.7 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' VAL . 1.8 mt -104.77 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.5 p -105.2 -172.9 2.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 9.78 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.1 p -113.16 -51.16 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.84 -33.03 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.6 p -83.11 -49.11 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 19.1 ttpp -51.77 -23.6 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -98.98 33.13 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.06 -40.01 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.3 pp -116.29 -23.53 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -85.09 2.94 41.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.88 -10.27 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.748 0.308 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.96 148.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.93 53.51 0.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.76 37.63 17.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -150.91 -52.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.03 -55.02 35.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.32 -55.59 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.707 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.9 mp0 -52.25 -34.0 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -79.51 -30.12 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.06 -49.74 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.2 t -57.63 -52.76 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 39' ' ' SER . 14.9 mm100 -50.8 -31.62 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.783 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.818 HG21 ' HA ' ' A' ' 8' ' ' PRO . 58.9 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.64 -54.34 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.62 ' CG2' HD11 ' A' ' 46' ' ' ILE . 1.1 tp -80.74 -25.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.83 -174.77 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -107.51 141.13 22.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.688 0.756 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.818 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.6 Cg_endo -69.84 -13.78 34.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -87.67 11.13 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -117.33 -48.45 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.621 HD13 HG22 ' A' ' 3' ' ' THR . 4.3 mp -61.52 -26.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.87 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -22.88 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.69 -46.44 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.831 HD13 ' HB2' ' A' ' 71' ' ' GLU . 39.7 mt -53.73 -27.28 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.86 -21.9 19.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -98.86 20.56 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.2 p -145.76 20.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.74 -14.52 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -83.86 157.48 63.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.2 Cg_endo -69.73 142.76 48.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 55.89 25.18 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 t -110.57 -21.85 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.736 ' CE2' HD21 ' A' ' 67' ' ' LEU . 19.1 t80 -95.62 143.61 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -166.46 160.72 12.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -36.74 10.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -92.72 35.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -135.17 -40.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.5 p90 -88.03 -19.5 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -51.26 -32.1 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -87.01 -32.26 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.9 mt -70.11 -61.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.5 p -59.32 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.09 23.42 1.78 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.7 mtm -72.37 -21.64 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -54.19 -32.82 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.81 -26.75 68.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.57 179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -166.26 44.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t 59.71 26.58 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.13 -0.4 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.627 ' O ' HD12 ' A' ' 46' ' ' ILE . 12.8 mp0 -134.42 -24.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' A' ' 103' ' ' GLN . 10.1 mt -53.38 -26.13 18.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -20.08 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.04 -45.42 92.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.651 HG22 ' HB2' ' A' ' 48' ' ' ARG . 2.9 mp -85.56 -26.41 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.8 p90 37.9 42.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.651 ' HB2' HG22 ' A' ' 46' ' ' ILE . 11.1 mtm180 -142.53 13.53 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.52 -5.06 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -118.21 -64.09 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -129.74 171.41 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -121.94 -53.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -65.39 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 49.49 37.23 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.1 t -96.37 -7.86 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.94 -74.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -123.38 165.31 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 59' ' ' GLU . 10.3 mt -91.18 159.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 58' ' ' ILE . 7.9 tp10 -144.08 160.16 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.74 -22.97 49.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.54 -7.35 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -120.32 25.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' A' ' 86' ' ' LEU . 43.7 mt -118.57 -34.95 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -59.1 -60.04 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -76.3 46.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HD1' HD23 ' A' ' 67' ' ' LEU . 36.6 t80 -92.18 -64.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.736 HD21 ' CE2' ' A' ' 24' ' ' PHE . 20.7 mt -56.22 -22.32 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -19.1 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -85.18 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.492 ' CG ' HG21 ' A' ' 11' ' ' ILE . 48.0 m-85 -52.71 -70.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.831 ' HB2' HD13 ' A' ' 15' ' ' LEU . 76.1 tt0 -49.77 -36.88 27.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 62.37 16.58 8.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.49 14.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.14 178.5 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.569 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.27 -61.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -164.16 155.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 67' ' ' LEU . 16.1 mt -104.96 -174.86 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.1 p -104.85 161.8 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -13.05 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -51.74 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.95 -60.68 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.463 ' O ' HD13 ' A' ' 63' ' ' LEU . 57.4 p -51.46 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 3.9 tmtt? -46.84 -45.19 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -90.35 44.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HB3' HD13 ' A' ' 63' ' ' LEU . 2.3 t80 -122.07 -40.3 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 63' ' ' LEU . 4.0 pp -120.6 -21.54 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.667 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -79.75 -28.45 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.45 -12.26 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.816 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -60.87 -75.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 102' ' ' PHE . 73.5 mt -87.26 145.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.62 65.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.61 49.81 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.709 0.29 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.05 -37.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.816 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 50.2 mm-40 -86.64 -50.0 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.518 ' HB2' HG21 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -54.35 -37.37 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' A' ' 43' ' ' LEU . 2.5 mp0 -57.22 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -55.32 -30.54 60.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.3 ttp -64.58 -26.64 68.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -95.71 -51.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -59.23 -23.77 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.813 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.616 HG21 ' HA ' ' A' ' 8' ' ' PRO . 28.8 p . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.812 0.339 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.24 -55.36 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.675 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -81.69 -10.02 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.49 -175.56 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.61 136.75 19.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.814 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.616 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.7 Cg_endo -69.74 -16.71 37.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -95.97 27.74 3.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -129.5 -35.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.508 HG21 ' CG ' ' A' ' 70' ' ' PHE . 3.4 mp -71.8 -26.35 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.61 -33.56 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -29.18 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.28 -46.27 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.817 HD13 ' HB2' ' A' ' 71' ' ' GLU . 80.0 mt -56.83 -23.69 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -94.05 -52.86 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.94 -19.43 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 m -125.0 25.22 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.88 -23.53 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -67.55 160.27 73.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.76 135.74 31.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 t0 62.25 19.13 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -105.82 -19.11 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE2' HD21 ' A' ' 67' ' ' LEU . 26.0 t80 -96.25 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.67 158.63 29.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -36.84 10.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -92.93 32.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.96 -40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.0 p90 -82.09 -21.62 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -52.17 -32.87 38.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.03 -32.21 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 29' ' ' PHE . 14.9 mt -72.87 -60.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 m -59.22 -47.54 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.4 22.29 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mtm -71.07 -25.56 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -53.34 -33.23 52.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.15 -35.08 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -50.61 165.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -143.76 45.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.97 14.05 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -109.62 -14.2 14.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.547 ' O ' HD12 ' A' ' 46' ' ' ILE . 5.6 mp0 -127.55 -1.74 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -40.22 74.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -11.76 25.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.19 -45.91 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.675 HD11 ' CG2' ' A' ' 5' ' ' ILE . 1.7 mp -84.89 -25.22 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.1 p90 38.4 40.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.86 2.52 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.474 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -115.19 -10.13 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' CE1' ' A' ' 102' ' ' PHE . 5.4 mt -98.38 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' CG ' HG23 ' A' ' 58' ' ' ILE . 9.8 t0 -144.69 -176.3 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -126.35 3.38 7.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.35 -52.91 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.76 41.88 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 t -108.79 -16.06 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.93 -78.14 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -123.99 163.97 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG23 ' CG ' ' A' ' 51' ' ' ASP . 19.7 mt -93.07 154.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -139.57 160.75 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.04 -23.01 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -77.83 -4.3 45.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -124.34 25.64 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.68 HD11 ' HG ' ' A' ' 86' ' ' LEU . 53.1 mt -109.9 -46.47 3.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 77' ' ' LEU . 24.8 mtmt -59.5 165.27 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.72 ' CE2' HG22 ' A' ' 76' ' ' VAL . 8.8 m-85 56.02 24.61 7.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.544 ' HD1' HD23 ' A' ' 67' ' ' LEU . 34.9 t80 -83.02 -49.7 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.544 HD23 ' HD1' ' A' ' 66' ' ' PHE . 15.1 mt -51.8 -30.33 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.09 -26.04 48.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -58.85 -60.54 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.695 ' HB2' HD11 ' A' ' 15' ' ' LEU . 45.6 m-85 -84.96 -57.49 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.817 ' HB2' HD13 ' A' ' 15' ' ' LEU . 62.7 tt0 -48.77 -43.65 38.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 t 61.86 17.48 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.23 -36.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.11 176.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.82 -67.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.72 HG22 ' CE2' ' A' ' 65' ' ' TYR . 3.1 t -137.0 161.01 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 64' ' ' LYS . 1.6 mt -103.56 -176.35 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.6 p -105.05 -176.76 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.45 4.01 33.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -105.4 -57.59 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 84' ' ' THR . 25.6 mt-10 -53.68 -46.67 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' HD13 ' A' ' 63' ' ' LEU . 25.2 p -70.83 -46.27 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 17.8 tptm -54.89 -23.22 17.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 81' ' ' GLU . 12.7 t -105.41 25.51 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.97 -39.65 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 87' ' ' ALA . 2.3 pp -115.87 -19.81 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.705 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -84.97 -15.95 42.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.62 93.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.85 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 86' ' ' LEU . 35.4 mt -79.7 145.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.72 -91.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.12 12.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.03 -11.99 7.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -109.32 -27.58 9.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CE1' HD23 ' A' ' 50' ' ' LEU . 7.7 t80 -72.56 -37.09 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.66 -35.42 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -76.22 -12.65 60.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.1 ttp -87.34 -26.51 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.54 -60.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.72 -42.12 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.818 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.401 HG22 HD13 ' A' ' 11' ' ' ILE . 14.1 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.77 0.319 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.83 -75.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.591 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -61.96 -24.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.762 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -93.11 -170.1 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -106.35 118.17 55.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.731 0.777 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -22.96 31.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -95.48 29.04 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -140.46 -46.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.788 HG21 ' CD1' ' A' ' 70' ' ' PHE . 13.7 mt -55.51 -25.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.97 -25.5 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.11 -16.21 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.95 -36.82 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.707 ' CD2' HD22 ' A' ' 67' ' ' LEU . 44.5 mt -59.73 -29.44 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -93.54 -22.66 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.12 20.01 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.35 18.43 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -61.3 -18.9 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -74.92 158.45 84.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.74 142.83 49.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.45 33.52 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -102.62 -19.87 14.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' A' ' 67' ' ' LEU . 5.7 t80 -95.46 127.05 41.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -142.59 160.26 54.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -37.87 8.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -93.31 33.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -132.16 -40.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.759 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.5 p90 -88.58 -17.24 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HB2' HG13 ' A' ' 106' ' ' VAL . 8.1 p90 -51.35 -32.48 25.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -86.81 -31.4 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.2 mt -71.92 -67.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.422 ' HB2' HD22 ' A' ' 6' ' ' LEU . 90.8 p -53.25 -54.23 39.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.54 44.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.762 ' HG2' HD11 ' A' ' 6' ' ' LEU . 11.7 mtm -97.64 -27.26 14.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -32.97 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG3' ' HE3' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -66.42 -28.56 68.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CB ' HD21 ' A' ' 43' ' ' LEU . 3.4 mmpt? -50.05 168.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -153.1 49.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.402 ' HG ' ' HB3' ' A' ' 103' ' ' GLN . 0.5 OUTLIER 54.52 24.7 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.11 -8.86 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.478 ' O ' HD12 ' A' ' 46' ' ' ILE . 9.3 mp0 -131.38 -8.67 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.738 HD12 ' HG3' ' A' ' 103' ' ' GLN . 2.7 mt -61.9 -68.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -9.31 58.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.8 -46.41 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.3 mp -85.85 -21.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 p90 39.47 38.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.19 1.75 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.3 pt -113.88 -40.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -151.29 132.35 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.04 18.79 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -107.67 -37.06 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 55.61 23.27 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -83.26 -26.99 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.63 -49.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.7 -176.79 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.709 HD12 HG13 ' A' ' 97' ' ' ILE . 24.8 mt -127.96 153.84 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.74 167.88 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -58.76 -20.41 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -76.36 -5.61 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -117.82 15.74 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 86' ' ' LEU . 18.3 mt -110.21 -22.09 11.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.707 ' HG2' HG21 ' A' ' 82' ' ' THR . 22.6 mttm -83.19 -0.28 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.33 45.93 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.619 ' HD1' HD23 ' A' ' 67' ' ' LEU . 38.2 t80 -90.28 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.707 HD22 ' CD2' ' A' ' 15' ' ' LEU . 19.3 mt -54.39 -25.33 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -19.32 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -85.07 -58.18 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.788 ' CD1' HG21 ' A' ' 11' ' ' ILE . 94.0 m-85 -71.56 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.55 -40.81 72.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 16.26 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.19 -33.08 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.71 173.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.57 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.69 -37.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -165.38 161.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -106.26 175.01 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.0 p -75.93 170.36 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.65 -9.76 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.448 ' O ' HG22 ' A' ' 84' ' ' THR . 13.8 m -95.1 -55.32 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.79 -46.89 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.707 HG21 ' HG2' ' A' ' 64' ' ' LYS . 40.8 p -69.55 -47.37 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 35.0 ttpt -48.32 -45.1 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 80' ' ' SER . 8.8 t -92.95 39.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.605 ' CD1' HD22 ' A' ' 63' ' ' LEU . 7.2 t80 -124.52 -40.05 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' A' ' 63' ' ' LEU . 2.4 tm? -112.32 -29.58 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -77.0 -3.17 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.68 -41.53 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -93.63 20.17 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.5 p30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 pttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.709 HG13 HD12 ' A' ' 58' ' ' ILE . 41.7 mm -55.53 148.68 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.62 48.93 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 52.91 28.16 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -140.57 -37.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.698 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 35.6 mm-40 -70.76 -63.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -50.3 -49.27 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.738 ' HG3' HD12 ' A' ' 43' ' ' LEU . 14.3 mp0 -51.52 -39.62 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -77.96 -26.11 48.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.6 ttp -68.78 -46.0 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG13 ' HB2' ' A' ' 30' ' ' PHE . 47.3 t -79.47 -56.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.07 -22.39 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.54 HG22 HD13 ' A' ' 11' ' ' ILE . 42.9 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -76.15 -74.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.716 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -60.48 -25.15 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.688 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -99.37 168.32 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.688 ' H ' HD13 ' A' ' 6' ' ' LEU . 34.5 t -87.27 121.06 71.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.679 0.752 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.16 27.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.32 22.45 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -126.83 -31.96 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.816 HG21 ' CD1' ' A' ' 70' ' ' PHE . 5.1 mt -66.97 -30.15 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 -34.53 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 -26.31 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -86.85 -45.82 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 ' HB2' ' A' ' 71' ' ' GLU . 82.6 mt -55.41 -24.86 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -91.12 -54.72 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.49 -17.99 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 m -122.0 43.67 2.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -88.39 13.98 10.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -110.49 161.41 24.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.554 0.692 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.73 134.88 29.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.333 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.1 22.8 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -116.42 -18.39 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.756 ' CE2' HD21 ' A' ' 67' ' ' LEU . 57.1 t80 -106.07 127.2 53.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.02 160.05 32.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.686 0.755 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.08 30.14 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -98.03 23.08 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -129.24 -39.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.734 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.7 p90 -84.9 -10.49 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -53.87 -28.11 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -95.58 -28.71 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.8 mt -71.91 -47.83 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.653 ' OG ' HD11 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -76.32 -41.23 49.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.18 22.82 3.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -77.27 -15.51 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -53.38 -33.12 52.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -66.68 -30.07 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' CB ' HD21 ' A' ' 43' ' ' LEU . 1.7 mmpt? -51.83 171.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 p -153.43 41.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 2.8 p 59.78 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -119.96 -11.87 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 46' ' ' ILE . 7.8 mp0 -121.93 -19.41 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 103' ' ' GLN . 2.7 mt -49.79 -39.32 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -18.92 25.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -50.87 -45.26 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.716 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.0 mp -83.11 -17.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.6 p90 38.31 41.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.444 ' HB2' HG22 ' A' ' 46' ' ' ILE . 14.8 mtt180 -147.52 17.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.452 HD11 ' CA ' ' A' ' 43' ' ' LEU . 30.0 pt -118.93 -24.56 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -91.79 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -135.28 -170.7 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -133.02 9.25 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.84 -32.77 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 52.78 34.33 16.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -84.29 -21.8 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.43 -61.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -122.86 -168.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.0 mt -128.45 152.2 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -133.11 164.84 26.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -58.91 -21.69 58.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.62 -8.37 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -115.83 19.01 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.688 HD21 HD23 ' A' ' 86' ' ' LEU . 18.0 mt -116.63 -51.28 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -47.93 -39.37 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.21 47.77 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -93.69 -55.56 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.776 ' CD1' HD21 ' A' ' 77' ' ' LEU . 24.6 mt -56.36 -21.29 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 1.6 tt0 -53.54 -22.99 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -84.71 -63.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.816 ' CD1' HG21 ' A' ' 11' ' ' ILE . 43.2 m-85 -56.51 -53.55 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.755 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.1 tp10 -86.96 164.66 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -112.13 13.3 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.45 6.9 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -74.76 123.19 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -108.12 -63.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 t -146.23 150.2 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.776 HD21 ' CD1' ' A' ' 67' ' ' LEU . 8.3 mt -105.46 -173.04 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 21' ' ' PRO . 27.9 p -103.06 -178.86 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.49 -0.84 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 m -101.08 -58.45 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 84' ' ' THR . 49.6 mt-10 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.9 p -72.02 -46.35 57.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.7 ttpp -56.58 -23.87 43.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.516 ' HA ' ' HB2' ' A' ' 88' ' ' ALA . 13.2 t -100.86 26.22 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.63 -57.24 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.688 HD23 HD21 ' A' ' 63' ' ' LEU . 4.4 pp -112.15 -25.01 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.653 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -87.15 2.66 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -95.67 -39.66 9.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.632 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.41 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.3 pttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 101' ' ' GLU . 18.9 mm -83.3 154.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.6 53.89 0.61 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.82 39.97 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.758 0.313 . . . . 0.0 111.079 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -147.84 -37.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.677 ' HB2' HG23 ' A' ' 97' ' ' ILE . 8.2 mt-10 -80.05 -51.53 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.517 ' HB2' HG21 ' A' ' 97' ' ' ILE . 4.8 t80 -56.4 -35.5 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.63 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.9 mp0 -64.08 -62.1 1.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -54.47 -28.07 41.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 5.4 ttp -65.62 -27.03 68.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.4 t -93.44 -49.56 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.419 ' NE2' ' H ' ' A' ' 40' ' ' SER . 25.2 mm-40 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.692 HG22 ' CD1' ' A' ' 11' ' ' ILE . 15.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.818 0.342 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.21 -75.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -76.86 -22.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -91.95 -167.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.464 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 13.7 t -127.27 146.66 58.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.9 m -110.21 16.59 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -128.76 -35.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.692 ' CD1' HG22 ' A' ' 3' ' ' THR . 13.7 mt -69.65 -20.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.95 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 -19.64 62.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.69 -33.47 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 71' ' ' GLU . 82.7 mt -69.63 -17.98 63.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -105.84 -50.88 3.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -60.15 -19.47 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -117.6 19.44 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -24.42 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.57 160.56 59.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 147.62 63.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.2 34.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -115.85 -20.92 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.674 ' CE2' HD21 ' A' ' 67' ' ' LEU . 61.6 t80 -95.61 144.28 26.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.72 160.7 27.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.54 10.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 30.49 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -133.89 -40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.7 p90 -79.51 -19.56 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -53.57 -25.51 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -96.21 -28.32 14.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 29' ' ' PHE . 25.9 mt -71.6 -47.41 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.87 -44.47 31.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.19 25.61 2.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.413 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 7.7 mtm -77.52 -18.53 56.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p -53.2 -32.91 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -66.78 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 35' ' ' MET . 0.7 OUTLIER -54.96 177.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -168.45 64.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t 51.65 26.32 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -124.45 -9.74 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.47 ' O ' HD12 ' A' ' 46' ' ' ILE . 11.9 mp0 -138.95 -1.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.719 HD12 ' HG3' ' A' ' 103' ' ' GLN . 13.7 mt -64.15 -52.23 60.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -5.22 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.76 -48.36 81.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.73 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.6 mp -73.9 -33.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 58.39 31.64 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -140.37 14.73 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.0 pt -117.93 -16.2 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD22 HE22 ' A' ' 103' ' ' GLN . 6.0 mt -105.94 -68.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -155.1 150.15 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -105.04 27.74 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -121.87 -38.21 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 51.49 32.16 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -89.44 -20.72 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.3 -62.58 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -123.29 -171.13 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 mt -128.88 156.22 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -137.22 167.45 21.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.73 -21.5 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.0 -7.18 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 86' ' ' LEU . 14.6 mt -118.55 -56.0 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -46.23 -37.02 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -105.25 46.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HD1' HD23 ' A' ' 67' ' ' LEU . 41.1 t80 -91.68 -57.34 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.674 HD21 ' CE2' ' A' ' 24' ' ' PHE . 21.2 mt -55.95 -22.34 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -16.01 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -55.7 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 11' ' ' ILE . 75.7 m-85 -76.65 -59.01 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 15' ' ' LEU . 42.3 tp10 -59.65 -40.66 88.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 63.46 16.83 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.45 -35.84 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.05 173.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -49.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 t -146.06 149.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 67' ' ' LEU . 3.7 mt -106.12 173.41 6.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.7 p -76.0 179.04 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.12 -3.79 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.668 ' O ' HG22 ' A' ' 84' ' ' THR . 4.4 m -101.55 -51.43 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -52.51 -48.05 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' HD13 ' A' ' 63' ' ' LEU . 63.0 p -71.34 -46.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 2.1 ttmp? -55.36 -42.11 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 80' ' ' SER . 12.8 t -88.73 18.05 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CD2' HD22 ' A' ' 63' ' ' LEU . 1.9 t80 -89.18 -47.77 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -115.02 -28.61 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -82.69 1.53 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.38 -39.0 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -54.28 -62.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.8 pttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.75 0.31 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.667 HG21 ' HB2' ' A' ' 102' ' ' PHE . 16.3 mm -74.25 145.51 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.66 51.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.13 43.57 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.731 0.301 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -153.43 -37.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.638 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 52.5 mm-40 -78.33 -55.55 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.667 ' HB2' HG21 ' A' ' 97' ' ' ILE . 1.8 t80 -51.85 -37.14 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.719 ' HG3' HD12 ' A' ' 43' ' ' LEU . 17.2 mp0 -64.97 -38.48 91.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.54 -19.42 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.3 ttp -73.16 -25.77 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -86.61 -36.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.07 -31.13 69.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.797 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.461 HG22 HD13 ' A' ' 11' ' ' ILE . 41.6 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.794 0.331 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -114.76 -54.54 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.35 -15.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -126.55 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 121.42 68.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.705 0.764 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -22.85 31.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -95.58 25.16 4.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.76 -34.96 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.695 HG21 ' CD1' ' A' ' 70' ' ' PHE . 9.3 mt -72.02 -27.47 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -16.37 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 29' ' ' PHE . . . -86.85 -34.72 19.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD11 ' CB ' ' A' ' 70' ' ' PHE . 72.1 mt -69.68 -21.17 63.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -94.33 -49.72 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.98 -41.3 87.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 m -104.49 29.78 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.29 -23.59 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -62.58 159.9 39.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.8 137.82 36.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.7 t0 55.36 25.8 7.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -113.23 -11.68 13.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE2' HD21 ' A' ' 67' ' ' LEU . 43.6 t80 -95.64 126.62 41.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -140.63 161.41 54.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -37.73 8.71 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -94.21 34.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -134.21 -41.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.785 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.3 p90 -83.61 -25.58 30.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.647 ' HB2' HG13 ' A' ' 106' ' ' VAL . 2.1 p90 -52.11 -30.08 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -86.95 -28.34 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.4 mt -74.95 -47.45 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 p -76.21 -54.39 6.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.63 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 127.8 46.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.618 ' HE3' HG11 ' A' ' 106' ' ' VAL . 11.4 mtm -99.13 -25.94 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -54.5 -36.03 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -27.18 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.5 mmpt? -54.71 178.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -162.27 57.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.58 25.02 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 t -122.21 -5.83 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -136.92 -5.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.735 ' HA ' HD11 ' A' ' 49' ' ' ILE . 1.8 mt -72.87 -67.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -7.93 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.45 -45.46 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.496 HD13 HD13 ' A' ' 49' ' ' ILE . 1.7 mp -85.26 -30.57 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.436 ' HB3' ' NE2' ' A' ' 54' ' ' GLN . 8.8 m-85 60.43 18.59 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -134.06 2.49 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.735 HD11 ' HA ' ' A' ' 43' ' ' LEU . 46.2 pt -102.86 -20.26 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.0 mt -93.19 -62.93 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -147.42 178.93 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -117.77 -15.4 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.02 -35.67 80.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 47' ' ' PHE . 0.0 OUTLIER 51.36 30.19 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -100.7 -18.66 16.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.52 -29.66 3.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -122.34 -175.21 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mt -139.8 152.41 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -135.53 165.28 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.76 -20.4 49.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -78.22 -3.38 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -123.32 24.1 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 86' ' ' LEU . 31.7 mt -116.44 -35.0 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' O ' HD12 ' A' ' 77' ' ' LEU . 13.4 ptpt -59.32 -47.59 84.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -78.27 45.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.485 ' HD1' HD23 ' A' ' 67' ' ' LEU . 31.3 t80 -96.25 -67.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 34.3 mt -51.8 -26.6 10.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.732 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 17.5 tt0 -50.04 -47.13 53.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -51.55 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.72 ' CB ' HD11 ' A' ' 15' ' ' LEU . 55.3 m-85 -57.63 -70.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.51 162.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 8.56 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.25 10.65 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.38 122.14 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -50.14 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 t -145.84 151.67 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.4 mt -105.42 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -76.16 170.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.05 -1.91 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.557 ' O ' HG22 ' A' ' 84' ' ' THR . 3.1 m -104.73 -54.44 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.61 -47.55 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 63' ' ' LEU . 36.5 p -70.62 -47.79 58.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 1.3 ttmp? -49.3 -43.21 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 80' ' ' SER . 12.0 t -92.87 34.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.418 ' HB3' HD13 ' A' ' 63' ' ' LEU . 1.2 t80 -109.39 -40.1 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 63' ' ' LEU . 4.0 pp -120.88 -21.63 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.673 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -76.14 -6.92 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -10.15 44.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB1' ' CB ' ' A' ' 101' ' ' GLU . . . -68.53 -75.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 pttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.721 0.296 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 86' ' ' LEU . 16.3 mm -78.66 153.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.82 29.38 10.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.33 41.24 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.82 -38.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.535 ' CB ' ' HB1' ' A' ' 89' ' ' ALA . 30.6 mp0 -72.13 -61.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -51.74 -29.59 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -74.84 -49.56 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.78 -23.76 65.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.1 ttm -65.5 -29.6 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 30' ' ' PHE . 47.5 t -94.07 -47.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -49.71 -39.76 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.49 -76.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.565 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -58.75 -23.55 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 7' ' ' SER . 0.5 OUTLIER -100.83 167.15 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.728 ' N ' HD13 ' A' ' 6' ' ' LEU . 2.6 m -83.89 122.39 76.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -35.31 12.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 p -91.8 23.72 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.72 -30.73 3.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 6' ' ' LEU . 5.4 mt -67.4 -31.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.23 -18.25 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.84 -35.81 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 71' ' ' GLU . 56.2 mt -58.36 -29.77 66.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -98.06 -53.26 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.62 -41.21 69.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 m -101.99 25.58 8.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.85 -26.02 68.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -60.92 160.46 20.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.74 134.35 27.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.26 21.64 12.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -106.54 -23.85 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' A' ' 67' ' ' LEU . 50.1 t80 -98.06 152.87 18.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -170.44 159.76 6.12 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -36.96 9.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.14 30.51 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -133.24 -39.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.766 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.3 p90 -84.98 -14.67 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -52.88 -28.37 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.06 -30.93 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 29' ' ' PHE . 10.1 mt -74.56 -59.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.656 ' OG ' HD11 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -59.04 -41.94 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.83 29.61 2.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.1 mtm -83.25 -17.71 41.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.4 p -54.07 -33.24 57.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -65.93 -26.86 67.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -178.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 t -166.93 40.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 m 62.37 18.49 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -118.69 -6.25 10.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -128.15 -17.19 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.744 HD12 ' HG3' ' A' ' 103' ' ' GLN . 15.3 mt -54.66 -40.96 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 5.2 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -84.16 -30.66 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.565 HD11 ' CG2' ' A' ' 5' ' ' ILE . 1.6 mp -89.16 -31.91 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 t80 49.19 34.46 6.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HB2' HG22 ' A' ' 46' ' ' ILE . 10.2 mtm-85 -149.93 18.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.458 HD13 HD13 ' A' ' 46' ' ' ILE . 23.6 pt -122.53 -27.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.59 -67.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.64 ' OD2' HG23 ' A' ' 58' ' ' ILE . 40.8 t0 -173.6 165.59 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.85 -2.63 34.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.77 26.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -23.36 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 t -60.24 -19.37 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.56 -61.09 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -177.52 -168.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.64 HG23 ' OD2' ' A' ' 51' ' ' ASP . 7.9 mt -127.38 156.51 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -140.91 169.51 17.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -58.86 -23.17 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.8 -8.85 57.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -113.13 16.28 19.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.733 HD11 ' CB ' ' A' ' 86' ' ' LEU . 13.6 mt -113.19 -21.04 11.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.649 ' HG2' HG21 ' A' ' 82' ' ' THR . 48.7 mttt -83.75 4.42 28.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -132.75 53.69 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HD1' HD23 ' A' ' 67' ' ' LEU . 43.5 t80 -97.62 -58.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' HD1' ' A' ' 66' ' ' PHE . 25.3 mt -52.61 -27.91 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.29 -45.36 84.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -49.72 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.51 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.645 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.4 tp10 -71.22 123.6 22.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -92.06 18.68 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -131.39 6.14 5.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.26 174.0 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.84 -72.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 77' ' ' LEU . 3.4 t -144.64 160.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -105.29 -176.61 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.8 p -104.91 163.23 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.61 -16.07 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -51.58 9.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.74 -56.01 24.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.649 HG21 ' HG2' ' A' ' 64' ' ' LYS . 41.1 p -53.65 -47.51 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -47.77 -45.05 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -90.17 44.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.587 ' CD1' HD22 ' A' ' 63' ' ' LEU . 6.0 t80 -136.5 -40.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.733 ' CB ' HD11 ' A' ' 63' ' ' LEU . 2.5 tm? -113.31 -34.01 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 18.71 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.12 -36.84 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -48.99 -69.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.623 HG23 ' HB2' ' A' ' 101' ' ' GLU . 20.0 mm -87.45 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.3 54.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.51 35.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.12 -37.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.623 ' HB2' HG23 ' A' ' 97' ' ' ILE . 59.8 mt-10 -74.47 -61.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' A' ' 97' ' ' ILE . 5.4 t80 -56.68 -24.37 48.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.744 ' HG3' HD12 ' A' ' 43' ' ' LEU . 1.3 mp0 -68.77 -49.52 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.68 -21.65 65.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.05 -51.48 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.42 -53.44 46.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -57.4 -33.94 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.785 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.467 HG21 ' HB3' ' A' ' 8' ' ' PRO . 33.8 p . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.775 0.321 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -77.56 -55.39 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.63 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -73.91 -16.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.04 -170.1 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.39 122.55 34.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HB3' HG21 ' A' ' 3' ' ' THR . 53.5 Cg_endo -69.73 -11.99 32.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -90.22 15.54 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.29 -34.5 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 70' ' ' PHE . 7.4 mt -67.15 -28.06 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.52 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -25.89 67.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.37 -46.11 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.826 HD11 ' HB2' ' A' ' 70' ' ' PHE . 83.8 mt -55.84 -24.92 39.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -91.76 -56.23 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.35 -41.36 69.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 m -99.15 20.93 12.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.54 -26.04 41.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.07 161.09 51.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.77 148.72 65.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.93 32.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -117.68 -21.76 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 67' ' ' LEU . 26.0 t80 -95.44 145.57 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -160.66 154.02 18.45 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.676 0.751 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -24.6 29.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.51 27.86 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -134.68 -40.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.5 p90 -85.83 -10.28 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.514 ' HB2' HG13 ' A' ' 106' ' ' VAL . 14.4 p90 -55.42 -32.49 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.92 -25.12 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 29' ' ' PHE . 15.9 mt -79.01 -63.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -55.52 -58.86 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.5 41.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.581 ' HB3' HG11 ' A' ' 106' ' ' VAL . 27.0 mtm -94.6 -25.71 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 p -54.17 -33.01 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -66.78 -27.21 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 7.5 mmpt? -50.61 171.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -148.6 34.22 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t 65.79 12.63 8.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -111.31 -10.72 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.528 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.2 mp0 -117.49 -26.96 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 103' ' ' GLN . 8.8 mt -49.45 -39.97 35.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -12.62 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 17.3 tp10 -57.39 -46.11 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.63 HD11 HG21 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -86.38 -23.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ILE . 30.4 p90 37.02 46.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HG2' HG22 ' A' ' 46' ' ' ILE . 5.1 ptp180 -146.87 10.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -124.89 -3.69 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 102' ' ' PHE . 3.1 mt -115.3 -66.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -146.68 139.79 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -104.32 20.06 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -106.52 -46.01 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 55.25 25.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -87.58 -25.97 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.02 -61.72 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -123.01 -169.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.484 HD11 ' OD2' ' A' ' 51' ' ' ASP . 14.8 mt -128.73 153.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.09 164.43 27.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.94 -21.93 59.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.07 -5.62 52.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -116.96 16.32 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 HD23 ' A' ' 86' ' ' LEU . 27.6 mt -108.4 -47.11 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.546 ' HG3' HG21 ' A' ' 82' ' ' THR . 9.7 mtpt -57.37 167.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 60.05 22.0 11.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HD1' HD23 ' A' ' 67' ' ' LEU . 38.2 t80 -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.538 HD23 ' HD1' ' A' ' 66' ' ' PHE . 17.0 mt -50.98 -29.8 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.597 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 2.8 tt0 -52.11 -28.84 19.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -63.14 -70.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.826 ' HB2' HD11 ' A' ' 15' ' ' LEU . 61.6 m-85 -66.85 -54.8 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -47.58 162.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -66.14 -45.46 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.19 59.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -59.76 -177.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 -71.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -146.76 163.88 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -103.91 -175.54 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.7 p -105.47 -179.81 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.05 2.85 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -107.36 -47.05 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 84' ' ' THR . 5.0 mm-40 -62.9 -47.88 81.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.546 HG21 ' HG3' ' A' ' 64' ' ' LYS . 33.3 p -72.16 -36.29 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.742 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 23.8 ttpp -59.03 -23.47 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 81' ' ' GLU . 12.8 t -104.44 31.3 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.27 -47.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.784 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -117.48 -22.94 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -82.42 -18.98 39.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.03 13.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.58 -42.72 62.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.763 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 101' ' ' GLU . 19.2 mm -76.74 155.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.16 55.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.94 28.28 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -136.63 -37.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 97' ' ' ILE . 20.8 mm-40 -75.91 -57.72 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CD1' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -52.75 -37.17 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.657 ' HG3' HD12 ' A' ' 43' ' ' LEU . 19.0 mp0 -73.78 -60.21 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -52.14 -29.19 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.56 ' CE ' ' HB2' ' A' ' 89' ' ' ALA . 30.8 ttm -65.39 -69.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 35' ' ' MET . 20.6 t -58.13 -36.76 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -56.52 -31.75 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.79 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.733 0.301 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -75.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.658 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -67.08 -24.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.754 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -98.03 -170.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -112.66 120.09 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.729 0.776 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -18.19 37.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -95.08 26.37 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.27 -35.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 70' ' ' PHE . 18.9 mt -57.93 -36.04 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.85 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.26 -15.97 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.618 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -98.39 -46.68 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.677 ' CD2' HD22 ' A' ' 67' ' ' LEU . 96.2 mt -57.88 -19.66 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -99.53 -41.85 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -54.39 -45.56 72.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -117.72 38.34 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.77 -16.7 59.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -73.13 159.77 84.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.71 137.05 34.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.24 19.58 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 t -108.98 -21.79 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -95.33 144.18 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -155.28 160.27 31.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.59 7.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -92.23 34.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -138.41 -40.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.0 p90 -83.88 -14.7 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.493 ' HB2' HG13 ' A' ' 106' ' ' VAL . 12.1 p90 -54.16 -27.51 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -89.62 -29.95 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 29' ' ' PHE . 6.8 mt -79.08 -65.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.44 ' OG ' HD22 ' A' ' 6' ' ' LEU . 33.2 t -51.47 -38.24 52.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 44.61 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.754 ' HG2' HD11 ' A' ' 6' ' ' LEU . 9.5 mtm -99.32 -18.41 17.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -54.16 -33.03 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -66.14 -26.68 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -56.2 -177.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -166.04 41.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p 61.43 18.83 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -120.01 -6.17 10.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' O ' HD12 ' A' ' 46' ' ' ILE . 9.2 mp0 -128.12 -15.81 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.688 ' O ' HD11 ' A' ' 49' ' ' ILE . 6.3 mt -59.68 -58.96 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -16.26 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 22.5 tp10 -50.29 -46.97 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 5' ' ' ILE . 3.5 mp -83.76 -21.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 36.6 p90 38.99 38.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HB2' HG22 ' A' ' 46' ' ' ILE . 7.6 mmm180 -140.55 13.81 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.706 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -132.44 4.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.553 HD13 HE22 ' A' ' 103' ' ' GLN . 7.3 mt -126.7 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -139.16 103.88 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.63 -15.5 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -81.79 -40.38 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 53.66 27.52 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -77.1 -25.29 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.16 -16.44 1.02 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -163.43 -168.4 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.572 HD12 HG13 ' A' ' 97' ' ' ILE . 20.4 mt -128.47 154.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -137.0 165.36 26.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -57.71 -20.98 38.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.07 -4.57 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -124.95 25.7 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.726 HD21 HD23 ' A' ' 86' ' ' LEU . 38.6 mt -117.1 -26.47 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -83.69 3.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -121.22 44.36 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -91.67 -70.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 15' ' ' LEU . 21.0 mt -53.87 -24.63 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.608 ' N ' ' HB3' ' A' ' 74' ' ' ALA . 4.8 tt0 -50.06 -26.63 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -84.76 -70.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.4 ' CD1' HG21 ' A' ' 11' ' ' ILE . 85.4 m-85 -50.24 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -57.86 -30.93 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 t 65.3 14.11 9.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.1 19.79 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HB3' ' N ' ' A' ' 68' ' ' GLN . . . -79.49 126.06 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -74.68 -81.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -149.61 117.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -53.99 175.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -175.95 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.82 -12.33 36.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.05 -46.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.05 -55.84 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 63' ' ' LEU . 60.4 p -54.87 -36.33 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 55.4 tttt -58.05 -42.72 86.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -90.69 42.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.411 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.74 -53.51 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.726 HD23 HD21 ' A' ' 63' ' ' LEU . 4.1 pp -118.85 -20.17 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.618 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -86.37 2.39 47.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.1 -10.34 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -60.94 -67.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.572 HG13 HD12 ' A' ' 58' ' ' ILE . 38.6 mm -61.51 148.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.4 50.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.527 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.6 50.8 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.26 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 24.2 mt-10 -76.23 -31.02 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.48 -35.46 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.676 ' HG3' HD12 ' A' ' 43' ' ' LEU . 11.1 mp0 -64.69 -37.92 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.49 -25.54 54.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.1 ttp -67.01 -28.57 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 30' ' ' PHE . 38.6 t -87.52 -53.76 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -52.63 -45.15 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.711 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.895 0.378 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 70' ' ' PHE . 20.6 tp -64.95 -47.26 78.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.9 p -111.98 48.45 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.47 -73.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.736 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -55.47 -24.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -118.73 -165.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -120.54 141.14 31.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.751 . . . . 0.0 110.839 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -15.4 37.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p -94.58 24.56 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -128.23 -35.27 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 7' ' ' SER . 2.9 mp -71.71 -23.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.95 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . . . -60.6 -18.66 54.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.59 -28.76 8.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 67' ' ' LEU . 59.2 mt -70.41 -16.55 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -113.16 -22.34 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.83 -19.3 21.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 m -113.81 23.62 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.67 -23.87 63.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -59.43 160.79 12.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.72 133.05 24.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 57.62 23.56 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -102.51 -25.98 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.668 ' CE2' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -95.57 127.07 41.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.31 160.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -36.02 11.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -92.8 30.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -134.52 -40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.793 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.3 p90 -80.85 -19.47 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -54.86 -33.71 62.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -83.21 -17.33 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 29' ' ' PHE . 12.3 mt -88.86 -60.16 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 p -59.47 -66.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.725 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 155.13 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.404 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 10.7 mtm -101.51 2.71 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -79.13 -7.62 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -110.63 7.51 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -61.26 -172.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 m -171.24 35.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m 59.93 19.22 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -123.73 -5.28 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.564 ' O ' HD12 ' A' ' 46' ' ' ILE . 8.4 mp0 -123.53 -21.57 5.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 103' ' ' GLN . 20.3 mt -55.49 -70.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -20.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 2.2 tp10 -49.35 -47.66 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.736 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.4 mp -84.45 -22.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 p90 38.01 42.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HB2' HG22 ' A' ' 46' ' ' ILE . 8.4 mtm-85 -143.82 14.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.58 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -118.21 -19.32 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.45 -64.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.41 ' OD1' HD11 ' A' ' 58' ' ' ILE . 1.3 p-10 -156.43 149.77 24.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -95.89 38.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.23 -47.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 51.71 34.79 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 p -95.2 -21.86 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.24 -68.94 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -122.95 -170.03 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.504 HD12 ' HB ' ' A' ' 97' ' ' ILE . 19.3 mt -129.68 153.11 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.06 165.41 25.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.65 -21.41 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -73.43 -7.63 52.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.59 19.07 14.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.607 HD11 ' CD2' ' A' ' 86' ' ' LEU . 11.2 mt -119.91 -47.41 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -45.23 -36.68 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -104.67 47.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -92.26 -61.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.668 HD22 ' CD2' ' A' ' 15' ' ' LEU . 28.1 mt -51.67 -30.15 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.498 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -52.42 -29.0 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -63.87 -73.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.532 ' CD2' HD21 ' A' ' 2' ' ' LEU . 86.9 m-85 -62.56 -55.71 24.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -49.29 162.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.09 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -169.66 64.18 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' HB3' ' CA ' ' A' ' 68' ' ' GLN . . . -54.26 174.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.548 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -119.55 -62.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -164.4 159.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -105.76 169.51 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -77.14 -171.5 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.68 7.83 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.544 ' O ' HG22 ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.38 -53.8 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.04 -32.27 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 63' ' ' LEU . 51.7 p -86.64 -49.17 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 15.7 ttmm -56.6 -21.06 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 80' ' ' SER . 14.4 t -99.56 20.92 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.63 -41.03 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -120.23 -22.55 6.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -97.33 14.65 25.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -112.45 -36.99 5.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.545 ' HB2' ' CE ' ' A' ' 105' ' ' MET . . . -49.54 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -169.66 -179.83 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 94' ' ' ASP . 39.8 t-80 -124.52 49.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -51.71 -34.47 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.33 -71.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.426 ' HA ' ' CE1' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -136.86 18.97 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.5 18.0 50.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -106.21 145.28 31.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.739 0.304 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 102' ' ' PHE . 19.6 mm -82.32 146.89 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.78 58.84 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.78 34.46 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.88 -37.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' HB2' HD12 ' A' ' 97' ' ' ILE . 17.5 mm-40 -81.33 -51.76 8.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.516 ' HB2' HG21 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -52.05 -37.26 53.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.788 ' HG3' HD12 ' A' ' 43' ' ' LEU . 13.5 mp0 -66.46 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.6 -26.8 23.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.545 ' CE ' ' HB2' ' A' ' 89' ' ' ALA . 28.0 ttm -65.07 -49.82 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.73 -48.99 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 43' ' ' LEU . 3.7 mm100 -58.31 -38.47 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.855 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 70' ' ' PHE . 1.8 tp -84.82 150.32 25.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.658 HG22 HD13 ' A' ' 11' ' ' ILE . 11.9 p 50.26 31.55 5.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.57 -74.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.772 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -67.68 -24.42 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.744 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -91.28 -169.9 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.404 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -106.83 116.34 58.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.702 0.763 . . . . 0.0 110.845 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.63 30.53 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -92.26 15.82 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.96 -35.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.793 HG21 ' CD1' ' A' ' 70' ' ' PHE . 14.9 mt -61.54 -28.2 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.47 62.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.64 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -84.21 -46.3 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 71' ' ' GLU . 77.3 mt -55.61 -25.66 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -94.38 -16.29 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -108.05 19.29 20.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.12 16.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.86 -16.52 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -79.79 157.13 74.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.76 144.29 53.54 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 51.21 30.74 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -114.5 -20.63 10.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 67' ' ' LEU . 19.3 t80 -95.99 143.85 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.42 158.34 11.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.77 -38.35 7.89 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.97 13.69 12.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -120.02 -33.13 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.798 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.2 p90 -90.35 -20.15 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -52.96 -30.8 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.78 -25.92 26.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 29' ' ' PHE . 21.6 mt -78.46 -48.1 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.421 ' HB2' HD22 ' A' ' 6' ' ' LEU . 94.7 p -76.4 -56.72 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.29 42.49 0.16 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.744 ' HG2' HD11 ' A' ' 6' ' ' LEU . 4.8 mtm -88.87 -30.76 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.0 -33.29 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -60.49 -34.15 73.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -51.28 169.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 p -144.93 46.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p 58.49 20.41 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -118.73 -12.32 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' HD12 ' A' ' 46' ' ' ILE . 7.0 mp0 -128.2 1.16 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -61.99 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.05 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 10.5 tp10 -61.83 -45.57 93.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.772 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.8 mp -84.18 -23.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.4 p90 38.16 40.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.761 ' HB2' HG22 ' A' ' 46' ' ' ILE . 33.8 mtm-85 -140.66 11.88 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.504 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -122.7 -5.53 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -111.17 -64.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' OD1' HD11 ' A' ' 58' ' ' ILE . 1.1 p-10 -152.71 163.42 39.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -115.62 -9.06 12.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.43 -55.52 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 59.92 20.61 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.1 m -77.51 -21.67 52.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.42 -18.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -163.24 -171.08 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.449 HD11 ' OD1' ' A' ' 51' ' ' ASP . 12.7 mt -128.97 158.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 58' ' ' ILE . 25.0 tt0 -147.6 166.63 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.83 -20.37 49.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -81.38 -3.6 53.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -123.49 25.29 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.666 HD21 HD23 ' A' ' 86' ' ' LEU . 66.2 mt -110.3 -49.53 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 77' ' ' LEU . 2.2 pttm -58.71 168.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 25.7 m-85 58.96 27.25 16.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -82.35 -49.48 9.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.3 mt -55.57 -23.27 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.24 -17.06 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.71 -52.75 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.793 ' CD1' HG21 ' A' ' 11' ' ' ILE . 69.3 m-85 -81.55 -63.71 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB2' HD13 ' A' ' 15' ' ' LEU . 48.1 tp10 -56.51 -39.3 73.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t 63.62 15.93 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.55 -32.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.09 176.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.71 -57.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.568 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 3.9 t -142.94 157.89 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.638 HD23 ' OE1' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -104.6 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 p -107.6 170.25 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.06 -13.38 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -55.37 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.638 ' OE1' HD23 ' A' ' 77' ' ' LEU . 42.8 mt-10 -58.51 -59.24 5.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 63' ' ' LEU . 40.2 p -51.06 -47.18 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 54.6 tttt -50.66 -44.92 57.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.26 41.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 63' ' ' LEU . 1.8 t80 -120.24 -47.49 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.666 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -116.96 -23.0 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.648 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -84.38 1.93 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.61 -37.31 13.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 105' ' ' MET . . . -98.5 -10.81 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -59.88 -171.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 61.98 18.8 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.39 -0.51 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.78 -90.52 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -132.59 20.45 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.94 16.87 53.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.39 145.34 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.785 HG23 ' HB2' ' A' ' 101' ' ' GLU . 10.2 mm -76.27 157.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.66 68.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.7 ' C ' HE22 ' A' ' 103' ' ' GLN . . . 49.59 48.63 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.55 -46.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.785 ' HB2' HG23 ' A' ' 97' ' ' ILE . 7.6 mt-10 -75.16 -46.15 36.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -23.7 50.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.7 HE22 ' C ' ' A' ' 99' ' ' ALA . 3.9 mp0 -75.4 -49.8 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.02 -24.92 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.718 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 10.1 ttp -65.59 -26.22 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.47 -53.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -60.18 -30.75 69.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.82 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.942 0.401 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.669 ' O ' HG21 ' A' ' 46' ' ' ILE . 9.9 tp -49.44 -51.15 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 8' ' ' PRO . 21.4 p -104.61 41.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -76.38 -61.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.619 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -115.51 -168.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -117.52 121.12 32.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.648 ' HA ' HD12 ' A' ' 11' ' ' ILE . 53.2 Cg_endo -69.78 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -84.63 5.12 29.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.98 -34.99 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.787 HG21 ' CD1' ' A' ' 70' ' ' PHE . 7.9 mt -62.12 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -31.95 67.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.97 -19.97 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.63 -45.65 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.608 ' CD2' HD22 ' A' ' 67' ' ' LEU . 72.5 mt -54.28 -27.37 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -88.4 -57.6 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -52.27 -41.87 63.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -105.73 24.42 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -59.27 -21.94 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -70.59 159.76 83.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.2 Cg_endo -69.79 138.34 37.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 62.11 23.62 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -115.57 -20.03 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -104.04 149.32 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.7 m -160.59 156.85 22.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.55 10.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.29 27.01 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.57 -37.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.792 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -86.14 -11.48 52.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -51.88 -33.16 35.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -88.24 -32.02 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.8 mt -70.29 -61.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 p -59.21 -51.91 67.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.619 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 127.62 31.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mtm -83.86 -18.9 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -52.95 -33.18 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -65.21 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HZ2' HG23 ' A' ' 5' ' ' ILE . 6.5 mmpt? -50.64 168.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.443 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 2.7 p -150.18 42.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.5 t 59.23 21.77 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -120.44 -12.25 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.605 ' O ' HD12 ' A' ' 46' ' ' ILE . 7.8 mp0 -122.58 -17.52 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.661 ' HA ' HD11 ' A' ' 49' ' ' ILE . 3.4 mt -52.4 -30.49 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -21.05 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.58 -44.04 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 5' ' ' ILE . 2.1 mp -82.97 -18.28 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.61 40.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.579 ' HB2' HG22 ' A' ' 46' ' ' ILE . 42.6 mtt180 -139.32 9.31 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 43' ' ' LEU . 28.3 pt -120.6 -24.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.71 -66.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' OD1' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -152.21 145.25 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -96.32 20.48 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.36 -44.88 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 51.0 37.26 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -93.59 -14.24 26.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.23 -69.53 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.0 -173.43 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.547 HD11 ' OD1' ' A' ' 51' ' ' ASP . 21.3 mt -129.12 154.51 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -140.41 172.47 12.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.23 -20.58 42.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.16 -5.28 43.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.0 21.39 11.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 85' ' ' PHE . 11.7 mt -119.75 -18.98 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.685 ' HG2' HG21 ' A' ' 82' ' ' THR . 23.1 mttm -82.79 -4.37 57.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -123.14 52.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -96.3 -63.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' A' ' 15' ' ' LEU . 20.1 mt -54.14 -24.36 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 1.7 tt0 -55.87 -21.25 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.86 -71.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.787 ' CD1' HG21 ' A' ' 11' ' ' ILE . 71.7 m-85 -52.08 -70.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.3 -35.0 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 63.96 15.14 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.55 13.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -79.9 174.15 11.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.34 -69.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 t -146.38 156.9 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.11 170.43 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 p -76.65 -177.14 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.28 -19.67 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -85.37 -52.37 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 84' ' ' THR . 5.1 mm-40 -50.27 -46.92 55.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.685 HG21 ' HG2' ' A' ' 64' ' ' LYS . 74.1 p -71.66 -27.47 63.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.617 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.7 tptm -70.58 -22.61 62.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 81' ' ' GLU . 9.2 t -101.55 28.56 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HB2' HD13 ' A' ' 63' ' ' LEU . 2.0 m-85 -105.2 -58.69 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -117.44 -22.93 7.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.662 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -79.89 -2.03 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.2 -39.81 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -144.84 170.67 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -130.76 37.64 3.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -52.33 -33.7 43.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.8 -78.48 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.81 19.8 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.461 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 90.8 20.78 38.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -75.46 113.17 12.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.687 HG23 ' HB2' ' A' ' 101' ' ' GLU . 18.3 mm -77.94 145.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.81 54.85 0.66 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.63 29.3 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.93 -37.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.687 ' HB2' HG23 ' A' ' 97' ' ' ILE . 27.1 mt-10 -71.61 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.59 -36.73 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.3 mp0 -71.73 -58.14 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.94 -27.45 31.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.1 ttm -64.91 -67.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.65 -54.14 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 39' ' ' SER . 11.3 mm100 -57.05 -36.66 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.63 HD12 ' HD3' ' A' ' 48' ' ' ARG . 7.1 tp -67.78 -71.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.582 HG23 HD23 ' A' ' 2' ' ' LEU . 14.4 p -96.68 34.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -77.08 -64.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -70.52 -14.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 -171.06 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 t -104.24 131.38 21.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.743 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.09 29.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -93.72 31.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.63 -46.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.76 HG21 ' CD2' ' A' ' 70' ' ' PHE . 5.8 mt -59.69 -23.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.99 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.84 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -95.74 -36.74 11.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 71' ' ' GLU . 68.7 mt -60.22 -21.21 61.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -98.88 -41.65 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.72 -5.93 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.1 m -132.42 25.12 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -14.42 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -81.66 160.23 64.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.79 140.03 41.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.58 25.21 12.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -115.08 -21.6 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -97.87 149.55 22.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -166.71 160.03 11.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.74 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -37.2 9.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.75 33.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -137.68 -40.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -82.87 -16.08 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.445 ' HB2' HG13 ' A' ' 106' ' ' VAL . 9.1 p90 -57.94 -27.34 63.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.07 -31.98 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.602 ' CG2' ' HB2' ' A' ' 14' ' ' ALA . 12.1 mt -75.17 -58.06 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.2 m -58.71 -51.95 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.08 32.64 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -88.0 -20.58 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 p -53.85 -33.58 56.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -66.21 -28.66 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.549 ' CB ' HD21 ' A' ' 43' ' ' LEU . 5.5 mmpt? -55.12 178.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.432 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 2.6 p -152.64 42.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p 61.44 17.69 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.08 -11.33 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG2' HD11 ' A' ' 5' ' ' ILE . 8.2 mp0 -124.39 -12.81 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 103' ' ' GLN . 5.4 mt -61.64 -50.7 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -83.2 4.04 28.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -72.08 -45.6 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.1 mp -71.08 -39.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.02 33.63 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.63 ' HD3' HD12 ' A' ' 2' ' ' LEU . 3.5 ptm180 -139.43 6.22 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -118.39 -8.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.34 -64.73 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 171.89 15.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -120.46 6.92 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -106.04 -35.69 7.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.93 29.56 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -84.96 -44.44 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.64 -51.24 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -121.78 -179.09 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mt -129.51 156.3 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -134.38 164.47 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -58.71 -20.76 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -79.06 -4.44 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -122.36 24.92 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.798 HD21 HD23 ' A' ' 86' ' ' LEU . 44.2 mt -113.53 -51.2 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 77' ' ' LEU . 15.7 pttp -51.44 170.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.655 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 19.6 m-85 59.54 24.34 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -77.77 -48.81 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.8 mt -56.21 -21.48 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 5.8 tt0 -72.54 -28.49 62.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -54.73 -57.72 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.76 ' CD2' HG21 ' A' ' 11' ' ' ILE . 55.1 m-85 -84.97 -49.6 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.753 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.5 tp10 -83.34 132.65 34.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -93.17 16.3 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -124.46 -1.41 8.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.94 173.64 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.756 0.312 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.2 -73.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.655 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 2.9 t -142.16 161.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 64' ' ' LYS . 7.6 mt -104.41 -174.82 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.2 p -104.45 -176.99 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.03 -0.56 35.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.032 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.98 -55.69 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 84' ' ' THR . 5.3 mm-40 -51.02 -47.37 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' HD13 ' A' ' 63' ' ' LEU . 68.3 p -71.73 -45.22 62.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 66.1 tttt -54.42 -23.28 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 81' ' ' GLU . 14.3 t -104.7 28.59 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -47.67 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.798 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -115.29 -23.25 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -85.3 2.95 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.64 -9.88 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -53.52 -67.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -144.66 178.15 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -109.15 24.51 13.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -53.71 -41.37 66.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.96 -80.88 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.61 -12.25 9.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.78 25.21 2.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 106.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.469 HD13 ' OE1' ' A' ' 101' ' ' GLU . 28.5 mm -85.87 150.73 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.09 56.49 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.46 32.45 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.59 -58.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 89.3 mt-10 -56.16 -56.44 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -54.4 -50.31 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.749 ' HA ' HD12 ' A' ' 43' ' ' LEU . 14.1 mp0 -54.77 -55.19 32.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -53.63 -46.99 70.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.9 ttp -48.99 -27.76 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.445 HG13 ' HB2' ' A' ' 30' ' ' PHE . 34.5 t -85.15 -50.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 39' ' ' SER . 14.9 mm100 -61.06 -22.62 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 -179.795 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.924 0.393 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.661 HD21 ' CD1' ' A' ' 70' ' ' PHE . 13.6 tp -118.22 152.69 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.693 HG22 HD13 ' A' ' 11' ' ' ILE . 10.4 p 50.59 40.56 24.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.41 -69.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.683 ' CG2' HD11 ' A' ' 46' ' ' ILE . 1.1 tp -62.55 -24.87 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.73 -172.77 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.8 137.87 19.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -13.2 34.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -93.86 22.04 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.13 -50.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.708 HG21 ' CD1' ' A' ' 70' ' ' PHE . 4.8 mt -61.8 -19.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.93 -26.36 56.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.88 -16.21 62.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.08 -36.31 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.552 ' CD2' HD22 ' A' ' 67' ' ' LEU . 55.7 mt -57.28 -28.08 62.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -90.89 -21.05 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.04 19.49 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.1 p -146.87 20.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.12 -22.48 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -70.33 159.79 83.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.2 Cg_endo -69.68 132.87 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.4 t0 57.23 23.44 8.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 t -97.91 -16.39 19.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -95.59 144.28 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -161.09 157.87 23.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.651 0.739 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.01 9.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -92.63 36.57 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -134.87 -39.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.743 ' HA ' HD12 ' A' ' 32' ' ' ILE . 6.0 p90 -86.03 -18.66 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' HG13 ' A' ' 106' ' ' VAL . 10.7 p90 -51.12 -31.16 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -89.21 -31.71 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 29' ' ' PHE . 24.4 mt -69.65 -62.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 p -59.15 -46.98 86.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.76 27.0 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.433 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.87 -18.23 56.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -32.36 54.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -64.15 -27.64 69.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.34 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -167.02 50.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m 56.12 23.36 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -121.55 -6.12 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.573 ' O ' HD12 ' A' ' 46' ' ' ILE . 11.2 mp0 -133.7 -9.53 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' A' ' 103' ' ' GLN . 13.4 mt -62.35 -33.82 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -0.45 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.76 -45.0 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.4 mp -84.0 -18.76 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.5 p90 37.9 42.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.586 ' HB2' HG22 ' A' ' 46' ' ' ILE . 5.2 mtt-85 -141.51 11.99 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 pt -122.7 -27.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.42 -67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -144.39 175.17 10.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -133.37 28.78 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -129.83 -46.87 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 51.56 30.18 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -89.42 -58.19 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -148.27 -41.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.92 168.48 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mt -90.11 162.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -152.46 170.04 21.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.68 -23.23 62.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.89 -10.51 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' ' 63' ' ' LEU . 15.6 mm-40 -117.48 27.87 8.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.972 HD21 HD21 ' A' ' 86' ' ' LEU . 20.6 mt -126.38 -45.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -60.11 -10.8 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -113.74 32.39 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -80.56 -68.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 15' ' ' LEU . 20.5 mt -55.57 -24.82 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -50.99 -28.0 8.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HB3' HD22 ' A' ' 2' ' ' LEU . 14.1 mmp_? -86.31 -70.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.708 ' CD1' HG21 ' A' ' 11' ' ' ILE . 83.6 m-85 -51.19 -61.19 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.52 170.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -62.19 -34.79 77.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.74 60.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -53.64 174.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.586 ' O ' HG13 ' A' ' 76' ' ' VAL . 1.7 ptt85 -123.2 -52.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -165.57 156.41 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.495 HD21 HD11 ' A' ' 67' ' ' LEU . 3.7 mt -105.56 170.09 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.3 p -76.9 -174.57 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.08 6.99 33.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.0 m -113.65 -54.14 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.77 -32.33 51.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.565 ' O ' HD13 ' A' ' 63' ' ' LEU . 50.4 p -88.93 -34.67 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -69.26 -13.08 62.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 9.3 t -102.82 24.28 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.81 -59.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.972 HD21 HD21 ' A' ' 63' ' ' LEU . 7.3 mt -76.26 -65.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.12 -21.9 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -51.42 -60.25 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.592 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -51.5 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -156.08 178.33 10.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -140.14 58.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.84 -30.88 25.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.31 -75.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.31 0.04 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.64 21.08 7.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.653 ' O ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -82.21 168.3 17.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.688 HG23 ' HB2' ' A' ' 101' ' ' GLU . 23.0 mm -134.09 150.71 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.51 55.52 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.87 44.47 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -152.28 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.688 ' HB2' HG23 ' A' ' 97' ' ' ILE . 39.1 mt-10 -77.2 -54.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.428 ' HB2' HG21 ' A' ' 97' ' ' ILE . 1.1 t80 -59.69 -23.16 62.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.639 ' HG3' HD12 ' A' ' 43' ' ' LEU . 2.9 mp0 -76.26 -49.35 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.16 -16.11 64.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.592 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 10.3 ttp -73.71 -45.32 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 30' ' ' PHE . 45.1 t -78.94 -36.31 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -89.79 2.78 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.915 0.388 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 69' ' ' ARG . 1.9 pt? -68.33 -12.87 61.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.539 ' CG2' HD13 ' A' ' 11' ' ' ILE . 10.2 p -98.19 38.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -76.45 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.452 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -56.38 -24.55 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -116.26 -168.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.46 128.26 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.68 0.752 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -20.06 35.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -94.84 30.14 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.67 -34.96 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.58 HG21 ' CG ' ' A' ' 70' ' ' PHE . 4.2 mp -70.03 -26.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.38 -27.04 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 -17.7 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -107.4 -36.39 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.745 ' CD2' HD22 ' A' ' 67' ' ' LEU . 84.4 mt -55.11 -26.21 36.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -22.52 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.78 20.44 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 p -134.71 7.48 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -58.88 -21.19 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -67.96 160.08 76.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.72 133.69 26.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 53.58 26.94 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.32 -16.61 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 67' ' ' LEU . 16.2 t80 -102.22 144.59 30.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 p -169.09 154.7 6.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.08 34.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -98.47 15.06 26.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -123.16 -40.06 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.725 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.1 p90 -81.9 -15.93 52.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -53.47 -28.07 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -94.76 -31.74 13.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 29' ' ' PHE . 16.5 mt -69.33 -47.87 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.9 p -75.7 -51.5 12.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 126.57 32.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.551 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtm -83.32 -23.27 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -33.22 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -65.98 -29.46 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' CB ' HD21 ' A' ' 43' ' ' LEU . 6.7 mmpt? -52.6 174.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -153.6 40.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p 63.54 15.95 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -113.68 -10.7 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.502 ' O ' HD12 ' A' ' 46' ' ' ILE . 8.5 mp0 -127.13 -9.85 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' A' ' 103' ' ' GLN . 11.8 mt -64.93 -55.63 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.28 4.94 28.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.0 -45.46 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 42' ' ' GLN . 4.0 mp -74.64 -33.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 56.05 38.29 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 46' ' ' ILE . 33.2 mtm180 -147.66 16.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -135.05 4.14 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.92 -68.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.56 119.42 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -73.59 -56.78 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -71.79 -22.17 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 50.65 31.67 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 p -68.05 -14.1 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.09 8.11 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -175.49 178.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 mt -129.11 152.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -139.51 170.68 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 -57.72 -22.18 45.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.6 -4.85 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -124.24 24.52 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 86' ' ' LEU . 29.1 mt -115.18 -46.5 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -10.38 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.08 48.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -96.18 -63.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.745 HD22 ' CD2' ' A' ' 15' ' ' LEU . 26.0 mt -53.27 -23.74 9.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.576 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 1.8 tt0 -53.23 -23.89 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.613 ' HB3' HD13 ' A' ' 2' ' ' LEU . 11.4 mmp_? -85.41 -72.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.58 ' CG ' HG21 ' A' ' 11' ' ' ILE . 71.6 m-85 -51.93 -60.41 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.0 169.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -70.17 -32.76 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -178.01 58.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -53.62 173.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -126.76 -71.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.53 156.01 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.36 175.35 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -75.79 178.62 6.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.19 -4.17 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -103.29 -52.24 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.91 -46.55 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.531 ' O ' HD13 ' A' ' 63' ' ' LEU . 79.3 p -69.33 -47.27 64.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.84 -43.55 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 t -88.17 41.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 63' ' ' LEU . 17.4 t80 -120.08 -49.63 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -117.93 -22.71 7.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.643 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -92.79 9.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.9 -37.99 8.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.683 ' HB3' HD11 ' A' ' 97' ' ' ILE . . . -50.96 -71.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.96 179.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -125.95 41.94 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.87 -30.61 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.81 -82.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -139.6 17.32 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 19.43 43.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -105.74 120.2 41.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 89' ' ' ALA . 42.2 mm -87.17 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.32 -92.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.29 21.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -121.43 -29.33 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -93.97 -45.77 7.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.11 -48.19 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.817 ' HG3' HD12 ' A' ' 43' ' ' LEU . 2.2 mp0 -49.37 -54.24 18.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.71 -48.18 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.7 ttp -49.92 -27.85 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.51 -49.49 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -50.88 -38.04 47.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.66 HD11 ' CD1' ' A' ' 70' ' ' PHE . 3.6 tp -78.81 149.12 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.707 HG22 ' CD1' ' A' ' 11' ' ' ILE . 3.2 p 52.27 31.89 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -77.7 -66.37 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -66.62 -25.83 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -115.56 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.47 138.89 20.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HB3' HG21 ' A' ' 3' ' ' THR . 53.5 Cg_endo -69.79 -12.67 33.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.23 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 p -90.25 14.44 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -125.57 -34.6 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.779 HG21 ' CD1' ' A' ' 70' ' ' PHE . 11.9 mt -67.51 -21.05 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.9 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.66 56.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.17 -31.5 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 70' ' ' PHE . 69.5 mt -69.57 -13.44 62.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -107.39 -41.56 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.4 -7.28 53.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 m -126.11 42.32 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.34 -24.1 32.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.31 160.08 61.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.78 138.52 37.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 t0 53.84 27.2 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -110.96 -17.53 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 67' ' ' LEU . 46.8 t80 -97.8 150.88 20.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -171.76 159.81 4.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.35 29.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -95.58 31.47 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -134.64 -40.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.2 p90 -80.58 -18.59 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -57.77 -30.91 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -92.3 -31.68 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 29' ' ' PHE . 25.8 mt -72.37 -59.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -59.26 -55.11 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.704 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 130.23 42.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.5 mtm -98.56 -18.88 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.0 t -53.34 -37.09 62.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -27.6 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -55.37 -179.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -161.76 53.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t 52.53 26.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -122.8 -6.07 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -134.19 -16.16 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.808 HD12 ' HG3' ' A' ' 103' ' ' GLN . 11.7 mt -54.47 -45.09 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.564 ' HA ' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -86.37 4.38 39.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -78.28 -45.28 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.502 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.0 mp -70.61 -29.31 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 54.05 30.1 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -146.13 15.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 43' ' ' LEU . 19.6 pt -120.35 -22.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 44' ' ' LYS . 1.3 mt -95.75 -66.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.5 153.06 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -102.78 54.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.08 -54.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.2 31.78 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -90.99 -47.81 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.48 -57.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -158.74 165.43 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.596 HD12 ' HB ' ' A' ' 97' ' ' ILE . 12.3 mt -90.49 157.72 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 58' ' ' ILE . 9.1 tp10 -147.53 167.52 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.81 -21.28 41.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.14 -4.29 43.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.24 22.76 7.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.696 HD11 ' CD2' ' A' ' 86' ' ' LEU . 58.3 mt -108.88 -46.1 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.38 -42.4 82.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -80.44 41.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' HD1' HD23 ' A' ' 67' ' ' LEU . 46.5 t80 -90.86 -62.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD23 ' HD1' ' A' ' 66' ' ' PHE . 20.8 mt -50.93 -29.29 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -46.17 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.64 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.779 ' CD1' HG21 ' A' ' 11' ' ' ILE . 61.9 m-85 -61.85 -69.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.559 ' HB2' HD13 ' A' ' 15' ' ' LEU . 11.1 tt0 -67.29 125.94 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -94.79 23.41 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.29 7.76 3.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.25 173.02 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -75.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -145.35 111.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.3 mt -53.57 174.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.0 p -76.22 -178.4 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.65 -5.44 55.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.5 -45.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -53.36 -55.54 24.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 63' ' ' LEU . 73.1 p -54.7 -48.22 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 20.7 tptm -50.05 -44.15 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.67 42.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' CD1' HD22 ' A' ' 63' ' ' LEU . 19.6 t80 -120.73 -48.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 63' ' ' LEU . 4.0 pp -116.57 -20.82 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.657 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -89.46 -28.21 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.45 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.96 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.02 -178.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -134.71 68.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.15 -40.66 98.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.93 -61.49 0.29 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -147.88 26.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.28 22.17 77.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -106.21 131.92 52.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.596 ' HB ' HD12 ' A' ' 58' ' ' ILE . 23.7 mm -87.55 145.88 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.34 63.0 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.23 44.21 28.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -149.29 -63.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HB2' HD12 ' A' ' 97' ' ' ILE . 78.2 mm-40 -57.38 -53.83 53.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.444 ' HB2' HG21 ' A' ' 97' ' ' ILE . 7.5 t80 -53.41 -47.81 69.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.808 ' HG3' HD12 ' A' ' 43' ' ' LEU . 1.8 mp0 -45.12 -39.4 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.79 -47.27 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.7 ttp -50.95 -27.28 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.26 -49.95 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -55.46 -26.52 42.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.808 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 70' ' ' PHE . 14.8 tp -166.37 153.49 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.571 ' CG2' HD13 ' A' ' 11' ' ' ILE . 14.6 p 49.8 46.32 24.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -76.69 -61.26 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -67.59 -25.01 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.58 -174.01 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -100.28 134.79 20.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.47 35.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -93.84 30.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.06 -35.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.571 HD13 ' CG2' ' A' ' 3' ' ' THR . 4.1 mp -67.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.65 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -19.39 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -90.61 -36.15 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.506 ' CD2' HD22 ' A' ' 67' ' ' LEU . 50.8 mt -74.03 -20.83 60.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -22.5 17.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.16 16.2 15.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.5 p -135.99 22.69 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.72 -17.1 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -75.6 159.75 80.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.699 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.75 133.14 24.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.61 25.59 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.04 -12.78 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.733 ' CE2' HD21 ' A' ' 67' ' ' LEU . 31.5 t80 -95.41 145.82 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -171.94 155.0 3.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.52 34.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.707 2.272 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -99.2 15.35 26.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -122.54 -34.92 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.712 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.5 p90 -86.24 -21.22 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.35 -31.31 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -87.12 -32.1 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.0 mt -71.78 -59.98 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 p -59.84 -40.0 87.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.37 17.76 6.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.6 mtm -69.57 -18.29 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 p -53.1 -34.9 58.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -64.44 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.3 mmpt? -51.9 171.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.433 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 4.1 m -151.73 45.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 t 58.04 21.32 7.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -118.92 -12.12 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 46' ' ' ILE . 8.2 mp0 -124.66 -15.98 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 103' ' ' GLN . 3.0 mt -55.56 -32.97 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 9.38 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -87.65 -29.6 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 42' ' ' GLN . 2.5 mp -91.7 -21.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.83 39.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.599 ' HB2' HG22 ' A' ' 46' ' ' ILE . 62.0 mtt180 -145.61 14.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -127.12 -2.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' A' ' 102' ' ' PHE . 3.4 mt -115.86 -65.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -138.72 -174.95 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -131.47 5.85 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -121.21 -38.61 2.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 52.39 29.1 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 t -67.74 -22.86 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.91 -22.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -164.06 -169.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.595 HD12 HG13 ' A' ' 97' ' ' ILE . 24.4 mt -128.31 152.68 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.16 168.23 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -57.95 -21.08 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -75.24 -5.27 43.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -121.34 24.0 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 86' ' ' LEU . 16.0 mt -121.03 -52.33 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.69 -37.58 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -106.04 50.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -94.64 -59.45 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.733 HD21 ' CE2' ' A' ' 24' ' ' PHE . 32.1 mt -51.46 -29.42 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.578 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 3.6 tt0 -48.23 -46.26 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 HH21 HD13 ' A' ' 2' ' ' LEU . 10.7 mmm180 -50.66 -71.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CD2' HD21 ' A' ' 2' ' ' LEU . 75.6 m-85 -62.75 -72.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.17 164.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -120.18 14.78 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.18 11.9 2.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.88 123.42 27.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.071 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -101.02 -73.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.96 110.95 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.632 HD11 ' HG ' ' A' ' 67' ' ' LEU . 1.3 mt -53.94 171.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.422 HG23 ' OE1' ' A' ' 81' ' ' GLU . 43.5 p -76.77 165.14 25.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.55 -2.02 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.49 -45.81 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.422 ' OE1' HG23 ' A' ' 78' ' ' THR . 35.1 mt-10 -54.88 -52.35 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.508 ' O ' HD13 ' A' ' 63' ' ' LEU . 81.0 p -52.7 -51.02 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 24.6 ttpt -49.82 -44.09 49.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 t -88.67 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.551 ' HD2' HD22 ' A' ' 63' ' ' LEU . 2.3 t80 -121.56 -48.09 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 63' ' ' LEU . 4.1 pp -118.05 -22.15 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.667 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.29 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 50.58 40.12 22.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -118.18 -15.98 9.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -82.08 -33.32 29.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 158.31 -52.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.535 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.75 19.52 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.34 -12.69 64.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -60.83 137.09 58.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.595 HG13 HD12 ' A' ' 58' ' ' ILE . 8.0 mm -87.25 160.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.3 51.1 0.29 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.96 39.03 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.337 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -150.9 -46.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.696 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 12.2 mm-40 -71.97 -50.63 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.501 ' CG ' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -52.97 -34.87 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.867 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.2 mp0 -65.98 -63.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.23 -25.43 33.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.4 ttm -64.68 -30.36 71.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.75 -48.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 39' ' ' SER . 11.1 mm100 -62.8 -24.98 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 3' ' ' THR . 4.1 tp -138.04 -59.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.631 HG23 HD23 ' A' ' 2' ' ' LEU . 69.2 p -108.7 44.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -77.56 -73.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.686 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -58.05 -25.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.29 -173.3 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.22 136.72 19.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.693 0.758 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.506 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.4 Cg_endo -69.81 -13.88 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.9 p -94.12 24.4 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -123.83 -48.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.617 HD13 HG22 ' A' ' 3' ' ' THR . 4.9 mp -61.69 -24.76 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.24 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.46 -15.64 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 29' ' ' PHE . . . -93.07 -36.31 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD13 ' HB2' ' A' ' 71' ' ' GLU . 46.3 mt -74.55 -11.5 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -46.51 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -19.43 51.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.4 m -127.29 23.59 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -59.95 -21.62 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -72.26 160.26 83.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.76 141.53 45.47 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.82 22.6 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -115.86 -19.29 10.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 67' ' ' LEU . 53.5 t80 -100.29 143.93 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.25 160.63 21.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.88 9.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -92.43 28.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -132.58 -39.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.2 p90 -80.58 -22.57 40.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.11 -31.71 20.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -86.39 -30.56 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.7 mt -71.84 -47.51 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 m -76.04 -52.9 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.25 32.78 0.66 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.418 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 7.0 mtm -84.71 -23.99 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -53.77 -33.06 54.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.66 -27.67 67.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 35' ' ' MET . 2.9 mmpt? -57.53 -176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -168.63 56.06 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p 50.55 25.38 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 t -125.65 -10.88 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.468 ' O ' HD12 ' A' ' 46' ' ' ILE . 9.1 mp0 -131.54 -7.83 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.39 -69.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -17.83 55.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.11 -47.52 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.686 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.6 mp -83.92 -15.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.7 p90 38.54 39.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.683 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -144.32 13.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.501 HG22 ' HZ ' ' A' ' 70' ' ' PHE . 45.6 pt -117.73 -20.37 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 102' ' ' PHE . 5.2 mt -91.33 -66.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -156.97 178.88 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -117.43 -14.07 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -65.97 -40.38 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.77 21.91 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 m -86.19 -34.17 20.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.72 -49.79 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.06 -174.42 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HB ' HD23 ' A' ' 86' ' ' LEU . 9.8 mt -128.61 158.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 58' ' ' ILE . 3.4 tt0 -136.87 176.09 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.26 -22.38 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.22 -6.11 48.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -115.9 20.39 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 86' ' ' LEU . 18.2 mt -114.49 -51.78 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -47.11 -37.94 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.48 47.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 41.2 t80 -92.37 -48.88 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 77' ' ' LEU . 34.7 mt -51.8 -30.51 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -26.0 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -57.68 -52.71 64.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.77 ' HB2' HD11 ' A' ' 15' ' ' LEU . 24.5 m-85 -96.39 -61.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.836 ' HB2' HD13 ' A' ' 15' ' ' LEU . 7.2 tp10 -49.56 -46.45 48.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t 63.18 15.59 8.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -130.42 -31.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.21 174.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 t -142.73 152.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 67' ' ' LEU . 7.2 mt -105.61 -173.24 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -103.35 159.96 15.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.53 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.8 -52.06 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.12 -60.58 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' HD13 ' A' ' 63' ' ' LEU . 45.9 p -49.28 -47.35 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -48.59 -45.63 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.5 ' HA ' ' HB2' ' A' ' 88' ' ' ALA . 9.1 t -90.32 43.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -135.16 -40.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.688 ' CB ' HD11 ' A' ' 63' ' ' LEU . 2.6 tm? -112.62 -33.81 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.78 24.33 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -94.69 -48.25 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.93 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -178.29 -170.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -138.24 61.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.19 -44.71 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.2 -74.72 1.0 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -137.58 21.51 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.15 14.72 55.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 122.48 46.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.654 HG23 ' HB2' ' A' ' 101' ' ' GLU . 71.6 mt -86.42 147.43 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.43 -87.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.93 25.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -124.88 -35.58 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.654 ' HB2' HG23 ' A' ' 97' ' ' ILE . 27.4 mt-10 -91.72 -45.22 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.604 ' CE1' HD23 ' A' ' 50' ' ' LEU . 5.5 t80 -49.59 -32.94 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.97 -62.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.26 -25.3 22.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.42 -26.92 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 t -113.65 -68.99 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -64.56 -29.43 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.798 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.904 0.383 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' THR . 57.5 tp -169.07 155.44 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 2' ' ' LEU . 10.0 t 37.28 43.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.58 -55.49 15.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.82 -22.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -94.19 -169.45 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -107.62 111.9 62.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.62 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -105.84 21.67 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.91 -35.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 70' ' ' PHE . 15.3 mt -61.78 -30.93 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.56 -35.19 75.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.62 -17.38 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.83 -36.85 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' CD2' HD22 ' A' ' 67' ' ' LEU . 48.7 mt -59.46 -26.97 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -52.16 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.87 -41.31 70.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.2 22.67 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -57.01 -30.63 64.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -54.57 161.16 2.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.529 0.681 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.72 138.74 38.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 53.21 27.95 6.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -109.54 -24.63 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CE2' HD21 ' A' ' 67' ' ' LEU . 15.5 t80 -95.74 88.03 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -95.5 159.47 32.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.83 6.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -91.34 36.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -135.5 -40.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.801 ' HA ' HD12 ' A' ' 32' ' ' ILE . 5.5 p90 -83.45 -20.64 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -51.52 -32.56 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -83.61 -28.43 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 29' ' ' PHE . 10.7 mt -78.86 -65.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -51.85 -58.09 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.86 42.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.78 ' HG2' HD11 ' A' ' 6' ' ' LEU . 3.0 mtm -95.94 -30.4 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -53.34 -32.96 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -65.22 -27.89 68.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -174.99 54.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.403 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 p 52.89 26.09 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 t -126.03 -8.09 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -135.8 -5.58 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 40' ' ' SER . 6.7 mt -64.13 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -51.41 -46.3 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.73 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.7 mp -85.19 -21.75 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.3 p90 37.96 42.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.687 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -144.48 15.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.07 8.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.64 HD22 ' OE1' ' A' ' 103' ' ' GLN . 9.8 mt -130.82 -68.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.36 107.24 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -73.35 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -44.35 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 51.76 30.11 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -121.05 -32.92 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.79 -75.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -170.84 165.86 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.53 152.38 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -150.35 166.64 29.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.15 -23.2 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.59 -6.57 49.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -122.34 25.72 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 85' ' ' PHE . 58.0 mt -113.87 -46.42 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -63.15 -9.5 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -107.69 33.59 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.01 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 15' ' ' LEU . 16.5 mt -51.8 -25.67 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -50.66 -25.57 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -86.72 -72.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.482 ' CE1' HD13 ' A' ' 11' ' ' ILE . 83.8 m-85 -56.88 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.01 169.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t -57.3 -50.76 71.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.68 58.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.0 174.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -120.3 -73.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.12 113.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 64' ' ' LYS . 1.5 mt -54.78 178.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.8 p -75.49 -173.21 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.97 -1.36 56.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -108.53 -45.78 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 84' ' ' THR . 9.7 mm-40 -52.64 -49.41 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 p -71.88 -36.81 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 53.3 tptt -60.98 -19.06 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 81' ' ' GLU . 15.4 t -110.26 27.69 9.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.521 ' HB2' HD13 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -105.85 -47.57 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 95' ' ' GLY . 4.2 pp -115.85 -22.65 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -81.56 -30.01 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.14 99.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.81 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -176.0 173.35 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -134.63 84.4 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -106.41 -87.77 1.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.64 22.74 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.673 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 95.9 14.12 47.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -101.72 144.76 30.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.298 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.522 HG22 ' H ' ' A' ' 99' ' ' ALA . 44.3 mm -82.8 146.01 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.71 37.83 3.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.522 ' H ' HG22 ' A' ' 97' ' ' ILE . . . 53.8 27.41 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.08 -37.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -70.56 -62.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -51.2 -55.95 15.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.64 ' OE1' HD22 ' A' ' 50' ' ' LEU . 3.7 mp0 -51.92 -50.13 61.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.7 -48.82 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -52.02 -26.58 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.04 -65.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -53.44 -28.49 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.818 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.738 HD21 ' HA ' ' A' ' 70' ' ' PHE . 11.2 tp -64.97 -74.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 11' ' ' ILE . 66.4 p -100.86 21.25 13.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -77.26 -55.37 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.692 HG21 HD11 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -57.42 -23.6 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.445 HD21 ' C ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -121.14 -168.98 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -95.96 118.25 65.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -16.06 37.29 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -93.98 19.83 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -130.16 -35.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.738 HD13 HG22 ' A' ' 3' ' ' THR . 12.0 mt -69.81 -24.91 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.93 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.1 62.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.6 -45.37 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 71' ' ' GLU . 34.5 mt -54.28 -24.55 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -92.74 -40.96 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.98 -5.85 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 p -119.18 13.23 12.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.57 -13.63 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -82.18 159.42 65.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.71 148.03 64.48 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.11 34.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -116.31 -19.06 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CD2' HD21 ' A' ' 67' ' ' LEU . 37.1 t80 -95.52 144.02 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.31 160.05 20.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.657 0.741 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.72 10.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -94.19 28.92 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.76 -40.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.723 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.0 p90 -88.01 -20.36 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -51.4 -30.34 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.12 -29.71 20.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.9 mt -75.23 -63.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.4 m -58.38 -44.13 88.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 113.88 45.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -95.09 -24.94 16.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.54 -33.51 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HG3' ' HE3' ' A' ' 38' ' ' LYS . 6.9 ptpt -66.59 -27.89 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' CB ' HD21 ' A' ' 43' ' ' LEU . 4.7 mmpt? -52.26 172.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.428 ' HA ' ' NE2' ' A' ' 107' ' ' GLN . 2.8 p -148.65 46.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p 56.52 21.37 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -121.15 -6.82 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' HB2' ' HD3' ' A' ' 38' ' ' LYS . 11.3 mp0 -131.66 -2.12 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 103' ' ' GLN . 4.0 mt -70.98 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -9.79 58.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.43 -44.07 62.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.701 HG22 ' HB2' ' A' ' 48' ' ' ARG . 3.4 mp -83.58 -21.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ILE . 34.8 p90 38.16 40.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.701 ' HB2' HG22 ' A' ' 46' ' ' ILE . 19.4 mtm180 -140.28 10.94 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -125.74 -3.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -116.08 -66.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 121.24 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -83.76 2.07 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -106.49 -28.87 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 51.73 42.33 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -93.1 -61.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.06 -44.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -120.72 -176.22 3.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.6 mt -141.45 154.09 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.94 165.44 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.76 -21.21 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.17 -3.84 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.76 21.81 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 86' ' ' LEU . 54.8 mt -109.08 -35.34 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.61 166.62 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 65.19 14.81 9.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.47 -53.05 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.605 HD21 ' CD2' ' A' ' 24' ' ' PHE . 40.2 mt -55.44 -24.78 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.709 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 7.7 tt0 -72.24 -23.75 61.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.79 -46.32 89.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.738 ' HA ' HD21 ' A' ' 2' ' ' LEU . 84.5 m-85 -95.81 -36.97 10.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.711 ' HB2' HD13 ' A' ' 15' ' ' LEU . 14.9 tt0 -88.34 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -93.55 17.35 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.81 4.72 3.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -79.37 173.48 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.54 -73.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 77' ' ' LEU . 3.2 t -143.38 160.7 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' VAL . 1.8 mt -104.77 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.5 p -105.2 -172.9 2.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 9.78 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.1 p -113.16 -51.16 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.84 -33.03 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.6 p -83.11 -49.11 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 19.1 ttpp -51.77 -23.6 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -98.98 33.13 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.06 -40.01 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.3 pp -116.29 -23.53 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -85.09 2.94 41.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.88 -10.27 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -150.47 177.04 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -106.4 26.37 9.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -54.03 -36.91 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.76 -80.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -140.23 22.61 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.01 20.37 39.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -70.28 85.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.96 148.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.93 53.51 0.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.76 37.63 17.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -150.91 -52.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.03 -55.02 35.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.32 -55.59 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.707 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.9 mp0 -52.25 -34.0 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -79.51 -30.12 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.06 -49.74 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.2 t -57.63 -52.76 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 39' ' ' SER . 14.9 mm100 -50.8 -31.62 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.783 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.905 0.383 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.769 ' CD1' HG23 ' A' ' 3' ' ' THR . 0.3 OUTLIER -68.75 135.88 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.818 HG21 ' HA ' ' A' ' 8' ' ' PRO . 58.9 p 46.76 56.61 6.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.64 -54.34 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.62 ' CG2' HD11 ' A' ' 46' ' ' ILE . 1.1 tp -80.74 -25.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.83 -174.77 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -107.51 141.13 22.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.688 0.756 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.818 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.6 Cg_endo -69.84 -13.78 34.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -87.67 11.13 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -117.33 -48.45 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.621 HD13 HG22 ' A' ' 3' ' ' THR . 4.3 mp -61.52 -26.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.87 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -22.88 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.69 -46.44 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.831 HD13 ' HB2' ' A' ' 71' ' ' GLU . 39.7 mt -53.73 -27.28 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.86 -21.9 19.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -98.86 20.56 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.2 p -145.76 20.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.74 -14.52 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -83.86 157.48 63.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.2 Cg_endo -69.73 142.76 48.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 55.89 25.18 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 t -110.57 -21.85 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.736 ' CE2' HD21 ' A' ' 67' ' ' LEU . 19.1 t80 -95.62 143.61 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -166.46 160.72 12.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -36.74 10.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -92.72 35.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -135.17 -40.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.5 p90 -88.03 -19.5 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -51.26 -32.1 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -87.01 -32.26 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.9 mt -70.11 -61.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.5 p -59.32 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.09 23.42 1.78 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.7 mtm -72.37 -21.64 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -54.19 -32.82 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.81 -26.75 68.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.57 179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -166.26 44.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t 59.71 26.58 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.13 -0.4 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.627 ' O ' HD12 ' A' ' 46' ' ' ILE . 12.8 mp0 -134.42 -24.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' A' ' 103' ' ' GLN . 10.1 mt -53.38 -26.13 18.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -20.08 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.04 -45.42 92.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.651 HG22 ' HB2' ' A' ' 48' ' ' ARG . 2.9 mp -85.56 -26.41 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.8 p90 37.9 42.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.651 ' HB2' HG22 ' A' ' 46' ' ' ILE . 11.1 mtm180 -142.53 13.53 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.52 -5.06 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -118.21 -64.09 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -129.74 171.41 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -121.94 -53.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -65.39 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 49.49 37.23 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.1 t -96.37 -7.86 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.94 -74.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -123.38 165.31 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 59' ' ' GLU . 10.3 mt -91.18 159.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 58' ' ' ILE . 7.9 tp10 -144.08 160.16 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.74 -22.97 49.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.54 -7.35 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -120.32 25.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' A' ' 86' ' ' LEU . 43.7 mt -118.57 -34.95 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -59.1 -60.04 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -76.3 46.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HD1' HD23 ' A' ' 67' ' ' LEU . 36.6 t80 -92.18 -64.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.736 HD21 ' CE2' ' A' ' 24' ' ' PHE . 20.7 mt -56.22 -22.32 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -19.1 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -85.18 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.492 ' CG ' HG21 ' A' ' 11' ' ' ILE . 48.0 m-85 -52.71 -70.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.831 ' HB2' HD13 ' A' ' 15' ' ' LEU . 76.1 tt0 -49.77 -36.88 27.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 62.37 16.58 8.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.49 14.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.14 178.5 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.569 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.27 -61.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -164.16 155.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 67' ' ' LEU . 16.1 mt -104.96 -174.86 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.1 p -104.85 161.8 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -13.05 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -51.74 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.95 -60.68 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.463 ' O ' HD13 ' A' ' 63' ' ' LEU . 57.4 p -51.46 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 3.9 tmtt? -46.84 -45.19 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -90.35 44.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HB3' HD13 ' A' ' 63' ' ' LEU . 2.3 t80 -122.07 -40.3 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 63' ' ' LEU . 4.0 pp -120.6 -21.54 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.667 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -79.75 -28.45 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.45 -12.26 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.816 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -60.87 -75.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -151.04 153.59 35.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -96.55 25.88 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.11 -29.72 23.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.26 -64.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -153.36 21.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 23.26 31.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -68.24 94.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 102' ' ' PHE . 73.5 mt -87.26 145.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.62 65.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.61 49.81 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.709 0.29 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.05 -37.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.816 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 50.2 mm-40 -86.64 -50.0 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.518 ' HB2' HG21 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -54.35 -37.37 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' A' ' 43' ' ' LEU . 2.5 mp0 -57.22 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -55.32 -30.54 60.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.3 ttp -64.58 -26.64 68.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -95.71 -51.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -59.23 -23.77 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.813 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.897 0.38 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.57 HD12 ' HD3' ' A' ' 48' ' ' ARG . 4.2 tp -74.51 140.81 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.616 HG21 ' HA ' ' A' ' 8' ' ' PRO . 28.8 p 48.3 56.53 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.24 -55.36 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.675 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -81.69 -10.02 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.49 -175.56 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.61 136.75 19.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.814 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.616 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.7 Cg_endo -69.74 -16.71 37.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -95.97 27.74 3.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -129.5 -35.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.508 HG21 ' CG ' ' A' ' 70' ' ' PHE . 3.4 mp -71.8 -26.35 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.61 -33.56 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -29.18 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.28 -46.27 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.817 HD13 ' HB2' ' A' ' 71' ' ' GLU . 80.0 mt -56.83 -23.69 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -94.05 -52.86 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.94 -19.43 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 m -125.0 25.22 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.88 -23.53 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -67.55 160.27 73.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.76 135.74 31.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 t0 62.25 19.13 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -105.82 -19.11 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE2' HD21 ' A' ' 67' ' ' LEU . 26.0 t80 -96.25 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.67 158.63 29.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -36.84 10.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -92.93 32.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.96 -40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.0 p90 -82.09 -21.62 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -52.17 -32.87 38.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.03 -32.21 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 29' ' ' PHE . 14.9 mt -72.87 -60.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 m -59.22 -47.54 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.4 22.29 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mtm -71.07 -25.56 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -53.34 -33.23 52.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.15 -35.08 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -50.61 165.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -143.76 45.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.97 14.05 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -109.62 -14.2 14.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.547 ' O ' HD12 ' A' ' 46' ' ' ILE . 5.6 mp0 -127.55 -1.74 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -40.22 74.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -11.76 25.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.19 -45.91 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.675 HD11 ' CG2' ' A' ' 5' ' ' ILE . 1.7 mp -84.89 -25.22 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.1 p90 38.4 40.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.57 ' HD3' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -137.86 2.52 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.474 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -115.19 -10.13 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' CE1' ' A' ' 102' ' ' PHE . 5.4 mt -98.38 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' CG ' HG23 ' A' ' 58' ' ' ILE . 9.8 t0 -144.69 -176.3 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -126.35 3.38 7.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.35 -52.91 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.76 41.88 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 t -108.79 -16.06 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.93 -78.14 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -123.99 163.97 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG23 ' CG ' ' A' ' 51' ' ' ASP . 19.7 mt -93.07 154.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -139.57 160.75 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.04 -23.01 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -77.83 -4.3 45.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -124.34 25.64 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.68 HD11 ' HG ' ' A' ' 86' ' ' LEU . 53.1 mt -109.9 -46.47 3.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 77' ' ' LEU . 24.8 mtmt -59.5 165.27 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.72 ' CE2' HG22 ' A' ' 76' ' ' VAL . 8.8 m-85 56.02 24.61 7.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.544 ' HD1' HD23 ' A' ' 67' ' ' LEU . 34.9 t80 -83.02 -49.7 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.544 HD23 ' HD1' ' A' ' 66' ' ' PHE . 15.1 mt -51.8 -30.33 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.09 -26.04 48.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -58.85 -60.54 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.695 ' HB2' HD11 ' A' ' 15' ' ' LEU . 45.6 m-85 -84.96 -57.49 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.817 ' HB2' HD13 ' A' ' 15' ' ' LEU . 62.7 tt0 -48.77 -43.65 38.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 t 61.86 17.48 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.23 -36.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.11 176.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.82 -67.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.72 HG22 ' CE2' ' A' ' 65' ' ' TYR . 3.1 t -137.0 161.01 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 64' ' ' LYS . 1.6 mt -103.56 -176.35 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.6 p -105.05 -176.76 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.45 4.01 33.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -105.4 -57.59 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 84' ' ' THR . 25.6 mt-10 -53.68 -46.67 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' HD13 ' A' ' 63' ' ' LEU . 25.2 p -70.83 -46.27 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 17.8 tptm -54.89 -23.22 17.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 81' ' ' GLU . 12.7 t -105.41 25.51 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.97 -39.65 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 87' ' ' ALA . 2.3 pp -115.87 -19.81 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.705 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -84.97 -15.95 42.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.62 93.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.85 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.9 -176.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -124.78 48.19 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -53.38 -32.6 50.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.0 -70.41 0.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -147.33 29.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.2 32.32 81.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 101.38 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 86' ' ' LEU . 35.4 mt -79.7 145.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.72 -91.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.12 12.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.03 -11.99 7.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -109.32 -27.58 9.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CE1' HD23 ' A' ' 50' ' ' LEU . 7.7 t80 -72.56 -37.09 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.66 -35.42 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -76.22 -12.65 60.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.1 ttp -87.34 -26.51 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.54 -60.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.72 -42.12 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.818 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.761 HD21 ' HA ' ' A' ' 70' ' ' PHE . 30.4 tp -125.3 154.7 41.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.659 HG23 ' HG ' ' A' ' 2' ' ' LEU . 14.1 p 49.8 33.1 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.83 -75.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.591 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -61.96 -24.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.762 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -93.11 -170.1 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -106.35 118.17 55.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.731 0.777 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -22.96 31.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -95.48 29.04 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -140.46 -46.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.788 HG21 ' CD1' ' A' ' 70' ' ' PHE . 13.7 mt -55.51 -25.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.97 -25.5 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.11 -16.21 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.95 -36.82 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 ' CD2' HD22 ' A' ' 67' ' ' LEU . 44.5 mt -59.73 -29.44 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -93.54 -22.66 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.12 20.01 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.35 18.43 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -61.3 -18.9 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -74.92 158.45 84.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.74 142.83 49.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.45 33.52 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -102.62 -19.87 14.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' A' ' 67' ' ' LEU . 5.7 t80 -95.46 127.05 41.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -142.59 160.26 54.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -37.87 8.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -93.31 33.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -132.16 -40.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.759 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.5 p90 -88.58 -17.24 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HB2' HG13 ' A' ' 106' ' ' VAL . 8.1 p90 -51.35 -32.48 25.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -86.81 -31.4 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.2 mt -71.92 -67.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.422 ' HB2' HD22 ' A' ' 6' ' ' LEU . 90.8 p -53.25 -54.23 39.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.54 44.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.762 ' HG2' HD11 ' A' ' 6' ' ' LEU . 11.7 mtm -97.64 -27.26 14.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -32.97 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG3' ' HE3' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -66.42 -28.56 68.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CB ' HD21 ' A' ' 43' ' ' LEU . 3.4 mmpt? -50.05 168.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -153.1 49.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.402 ' HG ' ' HB3' ' A' ' 103' ' ' GLN . 0.5 OUTLIER 54.52 24.7 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.11 -8.86 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.478 ' O ' HD12 ' A' ' 46' ' ' ILE . 9.3 mp0 -131.38 -8.67 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.738 HD12 ' HG3' ' A' ' 103' ' ' GLN . 2.7 mt -61.9 -68.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -9.31 58.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.8 -46.41 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.3 mp -85.85 -21.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 p90 39.47 38.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' HE ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -137.19 1.75 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.3 pt -113.88 -40.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -151.29 132.35 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.04 18.79 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -107.67 -37.06 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 55.61 23.27 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -83.26 -26.99 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.63 -49.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.7 -176.79 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.709 HD12 HG13 ' A' ' 97' ' ' ILE . 24.8 mt -127.96 153.84 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.74 167.88 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -58.76 -20.41 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -76.36 -5.61 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -117.82 15.74 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 86' ' ' LEU . 18.3 mt -110.21 -22.09 11.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.707 ' HG2' HG21 ' A' ' 82' ' ' THR . 22.6 mttm -83.19 -0.28 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.33 45.93 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.619 ' HD1' HD23 ' A' ' 67' ' ' LEU . 38.2 t80 -90.28 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.707 HD22 ' CD2' ' A' ' 15' ' ' LEU . 19.3 mt -54.39 -25.33 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -19.32 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -85.07 -58.18 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.788 ' CD1' HG21 ' A' ' 11' ' ' ILE . 94.0 m-85 -71.56 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.55 -40.81 72.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 16.26 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.19 -33.08 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.71 173.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.57 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.69 -37.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -165.38 161.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -106.26 175.01 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.0 p -75.93 170.36 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.65 -9.76 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.448 ' O ' HG22 ' A' ' 84' ' ' THR . 13.8 m -95.1 -55.32 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.79 -46.89 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.707 HG21 ' HG2' ' A' ' 64' ' ' LYS . 40.8 p -69.55 -47.37 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 35.0 ttpt -48.32 -45.1 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 80' ' ' SER . 8.8 t -92.95 39.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.605 ' CD1' HD22 ' A' ' 63' ' ' LEU . 7.2 t80 -124.52 -40.05 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' A' ' 63' ' ' LEU . 2.4 tm? -112.32 -29.58 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -77.0 -3.17 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.68 -41.53 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -93.63 20.17 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.5 p30 -76.51 71.48 3.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -131.02 8.13 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.62 -21.88 54.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.86 -40.61 1.24 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.92 27.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.31 22.62 78.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -106.35 106.9 17.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.709 HG13 HD12 ' A' ' 58' ' ' ILE . 41.7 mm -55.53 148.68 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.62 48.93 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 52.91 28.16 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -140.57 -37.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.698 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 35.6 mm-40 -70.76 -63.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -50.3 -49.27 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.738 ' HG3' HD12 ' A' ' 43' ' ' LEU . 14.3 mp0 -51.52 -39.62 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -77.96 -26.11 48.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.6 ttp -68.78 -46.0 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.432 HG13 ' HB2' ' A' ' 30' ' ' PHE . 47.3 t -79.47 -56.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.07 -22.39 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.919 0.39 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.642 ' O ' HG21 ' A' ' 46' ' ' ILE . 11.2 tp -121.65 -48.17 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.54 HG22 HD13 ' A' ' 11' ' ' ILE . 42.9 p -111.32 40.72 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -76.15 -74.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.716 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -60.48 -25.15 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.688 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -99.37 168.32 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.688 ' H ' HD13 ' A' ' 6' ' ' LEU . 34.5 t -87.27 121.06 71.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.679 0.752 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.16 27.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.32 22.45 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -126.83 -31.96 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.816 HG21 ' CD1' ' A' ' 70' ' ' PHE . 5.1 mt -66.97 -30.15 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 -34.53 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 -26.31 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -86.85 -45.82 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 ' HB2' ' A' ' 71' ' ' GLU . 82.6 mt -55.41 -24.86 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -91.12 -54.72 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.49 -17.99 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 m -122.0 43.67 2.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -88.39 13.98 10.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -110.49 161.41 24.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.554 0.692 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.73 134.88 29.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.333 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.1 22.8 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -116.42 -18.39 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.756 ' CE2' HD21 ' A' ' 67' ' ' LEU . 57.1 t80 -106.07 127.2 53.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.02 160.05 32.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.686 0.755 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.08 30.14 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -98.03 23.08 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -129.24 -39.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.734 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.7 p90 -84.9 -10.49 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -53.87 -28.11 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -95.58 -28.71 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.8 mt -71.91 -47.83 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.653 ' OG ' HD11 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -76.32 -41.23 49.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.18 22.82 3.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -77.27 -15.51 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -53.38 -33.12 52.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -66.68 -30.07 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' CB ' HD21 ' A' ' 43' ' ' LEU . 1.7 mmpt? -51.83 171.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 p -153.43 41.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 2.8 p 59.78 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -119.96 -11.87 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 46' ' ' ILE . 7.8 mp0 -121.93 -19.41 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 103' ' ' GLN . 2.7 mt -49.79 -39.32 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -18.92 25.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -50.87 -45.26 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.716 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.0 mp -83.11 -17.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.6 p90 38.31 41.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HB3' HD13 ' A' ' 2' ' ' LEU . 14.8 mtt180 -147.52 17.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.452 HD11 ' CA ' ' A' ' 43' ' ' LEU . 30.0 pt -118.93 -24.56 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -91.79 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -135.28 -170.7 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -133.02 9.25 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.84 -32.77 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 52.78 34.33 16.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -84.29 -21.8 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.43 -61.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -122.86 -168.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.0 mt -128.45 152.2 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -133.11 164.84 26.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -58.91 -21.69 58.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.62 -8.37 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -115.83 19.01 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.688 HD21 HD23 ' A' ' 86' ' ' LEU . 18.0 mt -116.63 -51.28 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -47.93 -39.37 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.21 47.77 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -93.69 -55.56 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.776 ' CD1' HD21 ' A' ' 77' ' ' LEU . 24.6 mt -56.36 -21.29 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 1.6 tt0 -53.54 -22.99 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -84.71 -63.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.816 ' CD1' HG21 ' A' ' 11' ' ' ILE . 43.2 m-85 -56.51 -53.55 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.755 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.1 tp10 -86.96 164.66 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -112.13 13.3 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.45 6.9 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -74.76 123.19 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -108.12 -63.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 t -146.23 150.2 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.776 HD21 ' CD1' ' A' ' 67' ' ' LEU . 8.3 mt -105.46 -173.04 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 21' ' ' PRO . 27.9 p -103.06 -178.86 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.49 -0.84 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 m -101.08 -58.45 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 84' ' ' THR . 49.6 mt-10 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.9 p -72.02 -46.35 57.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.7 ttpp -56.58 -23.87 43.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.516 ' HA ' ' HB2' ' A' ' 88' ' ' ALA . 13.2 t -100.86 26.22 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.63 -57.24 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.688 HD23 HD21 ' A' ' 63' ' ' LEU . 4.4 pp -112.15 -25.01 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.653 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -87.15 2.66 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -95.67 -39.66 9.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.632 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.41 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -170.9 173.2 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.4 66.14 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.81 -37.32 78.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.0 -57.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.24 26.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.82 25.18 76.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -92.12 127.16 37.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 101' ' ' GLU . 18.9 mm -83.3 154.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.6 53.89 0.61 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.82 39.97 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.758 0.313 . . . . 0.0 111.079 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -147.84 -37.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.677 ' HB2' HG23 ' A' ' 97' ' ' ILE . 8.2 mt-10 -80.05 -51.53 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.517 ' HB2' HG21 ' A' ' 97' ' ' ILE . 4.8 t80 -56.4 -35.5 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.63 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.9 mp0 -64.08 -62.1 1.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -54.47 -28.07 41.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 5.4 ttp -65.62 -27.03 68.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.4 t -93.44 -49.56 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.419 ' NE2' ' H ' ' A' ' 40' ' ' SER . 25.2 mm-40 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tp -65.48 145.34 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.692 HG22 ' CD1' ' A' ' 11' ' ' ILE . 15.9 p 49.61 44.5 24.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.21 -75.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -76.86 -22.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -91.95 -167.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.464 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 13.7 t -127.27 146.66 58.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.9 m -110.21 16.59 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -128.76 -35.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.692 ' CD1' HG22 ' A' ' 3' ' ' THR . 13.7 mt -69.65 -20.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.95 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 -19.64 62.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.69 -33.47 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 71' ' ' GLU . 82.7 mt -69.63 -17.98 63.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -105.84 -50.88 3.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -60.15 -19.47 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -117.6 19.44 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -24.42 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.57 160.56 59.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 147.62 63.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.2 34.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -115.85 -20.92 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.674 ' CE2' HD21 ' A' ' 67' ' ' LEU . 61.6 t80 -95.61 144.28 26.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.72 160.7 27.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.54 10.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 30.49 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -133.89 -40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.7 p90 -79.51 -19.56 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -53.57 -25.51 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -96.21 -28.32 14.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 29' ' ' PHE . 25.9 mt -71.6 -47.41 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.87 -44.47 31.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.19 25.61 2.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.413 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 7.7 mtm -77.52 -18.53 56.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p -53.2 -32.91 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -66.78 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 35' ' ' MET . 0.7 OUTLIER -54.96 177.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -168.45 64.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t 51.65 26.32 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -124.45 -9.74 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.47 ' O ' HD12 ' A' ' 46' ' ' ILE . 11.9 mp0 -138.95 -1.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.719 HD12 ' HG3' ' A' ' 103' ' ' GLN . 13.7 mt -64.15 -52.23 60.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -5.22 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.76 -48.36 81.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.73 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.6 mp -73.9 -33.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 58.39 31.64 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -140.37 14.73 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.0 pt -117.93 -16.2 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD22 HE22 ' A' ' 103' ' ' GLN . 6.0 mt -105.94 -68.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -155.1 150.15 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -105.04 27.74 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -121.87 -38.21 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 51.49 32.16 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -89.44 -20.72 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.3 -62.58 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -123.29 -171.13 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 mt -128.88 156.22 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -137.22 167.45 21.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.73 -21.5 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.0 -7.18 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 86' ' ' LEU . 14.6 mt -118.55 -56.0 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -46.23 -37.02 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -105.25 46.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HD1' HD23 ' A' ' 67' ' ' LEU . 41.1 t80 -91.68 -57.34 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.674 HD21 ' CE2' ' A' ' 24' ' ' PHE . 21.2 mt -55.95 -22.34 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -16.01 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -55.7 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 11' ' ' ILE . 75.7 m-85 -76.65 -59.01 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 15' ' ' LEU . 42.3 tp10 -59.65 -40.66 88.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 63.46 16.83 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.45 -35.84 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.05 173.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -49.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 t -146.06 149.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 67' ' ' LEU . 3.7 mt -106.12 173.41 6.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.7 p -76.0 179.04 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.12 -3.79 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.668 ' O ' HG22 ' A' ' 84' ' ' THR . 4.4 m -101.55 -51.43 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -52.51 -48.05 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' HD13 ' A' ' 63' ' ' LEU . 63.0 p -71.34 -46.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 2.1 ttmp? -55.36 -42.11 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 80' ' ' SER . 12.8 t -88.73 18.05 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CD2' HD22 ' A' ' 63' ' ' LEU . 1.9 t80 -89.18 -47.77 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -115.02 -28.61 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -82.69 1.53 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.38 -39.0 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -54.28 -62.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -159.33 -173.87 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -148.1 58.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.3 -33.49 73.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.15 -57.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -141.14 25.54 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.54 28.15 72.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -93.24 125.19 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.667 HG21 ' HB2' ' A' ' 102' ' ' PHE . 16.3 mm -74.25 145.51 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.66 51.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.13 43.57 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.731 0.301 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -153.43 -37.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.638 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 52.5 mm-40 -78.33 -55.55 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.667 ' HB2' HG21 ' A' ' 97' ' ' ILE . 1.8 t80 -51.85 -37.14 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.719 ' HG3' HD12 ' A' ' 43' ' ' LEU . 17.2 mp0 -64.97 -38.48 91.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.54 -19.42 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.3 ttp -73.16 -25.77 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -86.61 -36.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.07 -31.13 69.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.797 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.942 0.401 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' HG ' HG23 ' A' ' 3' ' ' THR . 19.8 tp -49.22 162.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.514 HG23 ' HG ' ' A' ' 2' ' ' LEU . 41.6 p 48.45 62.26 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -114.76 -54.54 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.35 -15.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -126.55 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 121.42 68.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.705 0.764 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -22.85 31.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -95.58 25.16 4.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.76 -34.96 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.695 HG21 ' CD1' ' A' ' 70' ' ' PHE . 9.3 mt -72.02 -27.47 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -16.37 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 29' ' ' PHE . . . -86.85 -34.72 19.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD11 ' CB ' ' A' ' 70' ' ' PHE . 72.1 mt -69.68 -21.17 63.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -94.33 -49.72 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.98 -41.3 87.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 m -104.49 29.78 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.29 -23.59 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -62.58 159.9 39.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.8 137.82 36.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.7 t0 55.36 25.8 7.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -113.23 -11.68 13.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE2' HD21 ' A' ' 67' ' ' LEU . 43.6 t80 -95.64 126.62 41.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -140.63 161.41 54.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -37.73 8.71 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -94.21 34.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -134.21 -41.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.785 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.3 p90 -83.61 -25.58 30.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.647 ' HB2' HG13 ' A' ' 106' ' ' VAL . 2.1 p90 -52.11 -30.08 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -86.95 -28.34 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.4 mt -74.95 -47.45 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 p -76.21 -54.39 6.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.63 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 127.8 46.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.618 ' HE3' HG11 ' A' ' 106' ' ' VAL . 11.4 mtm -99.13 -25.94 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -54.5 -36.03 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -27.18 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.5 mmpt? -54.71 178.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -162.27 57.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.58 25.02 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 t -122.21 -5.83 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -136.92 -5.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.735 ' HA ' HD11 ' A' ' 49' ' ' ILE . 1.8 mt -72.87 -67.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -7.93 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.45 -45.46 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.496 HD13 HD13 ' A' ' 49' ' ' ILE . 1.7 mp -85.26 -30.57 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' HB3' ' NE2' ' A' ' 54' ' ' GLN . 8.8 m-85 60.43 18.59 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -134.06 2.49 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.735 HD11 ' HA ' ' A' ' 43' ' ' LEU . 46.2 pt -102.86 -20.26 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.0 mt -93.19 -62.93 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -147.42 178.93 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -117.77 -15.4 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.02 -35.67 80.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 47' ' ' PHE . 0.0 OUTLIER 51.36 30.19 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -100.7 -18.66 16.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.52 -29.66 3.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -122.34 -175.21 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mt -139.8 152.41 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -135.53 165.28 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.76 -20.4 49.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -78.22 -3.38 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -123.32 24.1 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 86' ' ' LEU . 31.7 mt -116.44 -35.0 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' O ' HD12 ' A' ' 77' ' ' LEU . 13.4 ptpt -59.32 -47.59 84.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -78.27 45.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' HD1' HD23 ' A' ' 67' ' ' LEU . 31.3 t80 -96.25 -67.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 34.3 mt -51.8 -26.6 10.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.732 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 17.5 tt0 -50.04 -47.13 53.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -51.55 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.72 ' CB ' HD11 ' A' ' 15' ' ' LEU . 55.3 m-85 -57.63 -70.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.51 162.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 8.56 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.25 10.65 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.38 122.14 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -50.14 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 t -145.84 151.67 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.4 mt -105.42 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -76.16 170.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.05 -1.91 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.557 ' O ' HG22 ' A' ' 84' ' ' THR . 3.1 m -104.73 -54.44 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.61 -47.55 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 63' ' ' LEU . 36.5 p -70.62 -47.79 58.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 1.3 ttmp? -49.3 -43.21 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 80' ' ' SER . 12.0 t -92.87 34.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.418 ' HB3' HD13 ' A' ' 63' ' ' LEU . 1.2 t80 -109.39 -40.1 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 63' ' ' LEU . 4.0 pp -120.88 -21.63 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.673 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -76.14 -6.92 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -10.15 44.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB1' ' CB ' ' A' ' 101' ' ' GLU . . . -68.53 -75.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -162.89 -170.18 2.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -135.66 58.86 1.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.66 -28.11 63.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.795 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.69 -92.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -136.17 25.6 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.13 -16.46 11.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -68.82 132.25 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 86' ' ' LEU . 16.3 mm -78.66 153.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.82 29.38 10.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.33 41.24 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.82 -38.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.535 ' CB ' ' HB1' ' A' ' 89' ' ' ALA . 30.6 mp0 -72.13 -61.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -51.74 -29.59 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -74.84 -49.56 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.78 -23.76 65.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.1 ttm -65.5 -29.6 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 30' ' ' PHE . 47.5 t -94.07 -47.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -49.71 -39.76 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 48' ' ' ARG . 6.8 tp -165.05 152.54 11.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p 50.19 38.88 18.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.49 -76.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.565 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -58.75 -23.55 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 7' ' ' SER . 0.5 OUTLIER -100.83 167.15 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.728 ' N ' HD13 ' A' ' 6' ' ' LEU . 2.6 m -83.89 122.39 76.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -35.31 12.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 p -91.8 23.72 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.72 -30.73 3.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 6' ' ' LEU . 5.4 mt -67.4 -31.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.23 -18.25 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.84 -35.81 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 71' ' ' GLU . 56.2 mt -58.36 -29.77 66.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -98.06 -53.26 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.62 -41.21 69.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 m -101.99 25.58 8.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.85 -26.02 68.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -60.92 160.46 20.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.74 134.35 27.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.26 21.64 12.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -106.54 -23.85 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' A' ' 67' ' ' LEU . 50.1 t80 -98.06 152.87 18.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -170.44 159.76 6.12 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -36.96 9.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.14 30.51 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -133.24 -39.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.766 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.3 p90 -84.98 -14.67 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -52.88 -28.37 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.06 -30.93 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 29' ' ' PHE . 10.1 mt -74.56 -59.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.656 ' OG ' HD11 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -59.04 -41.94 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.83 29.61 2.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.1 mtm -83.25 -17.71 41.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.4 p -54.07 -33.24 57.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -65.93 -26.86 67.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -178.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 t -166.93 40.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 m 62.37 18.49 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -118.69 -6.25 10.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -128.15 -17.19 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.744 HD12 ' HG3' ' A' ' 103' ' ' GLN . 15.3 mt -54.66 -40.96 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 5.2 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -84.16 -30.66 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.565 HD11 ' CG2' ' A' ' 5' ' ' ILE . 1.6 mp -89.16 -31.91 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 t80 49.19 34.46 6.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HD2' HD12 ' A' ' 2' ' ' LEU . 10.2 mtm-85 -149.93 18.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.458 HD13 HD13 ' A' ' 46' ' ' ILE . 23.6 pt -122.53 -27.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.59 -67.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.64 ' OD2' HG23 ' A' ' 58' ' ' ILE . 40.8 t0 -173.6 165.59 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.85 -2.63 34.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.77 26.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -23.36 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 t -60.24 -19.37 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.56 -61.09 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -177.52 -168.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.64 HG23 ' OD2' ' A' ' 51' ' ' ASP . 7.9 mt -127.38 156.51 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -140.91 169.51 17.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -58.86 -23.17 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.8 -8.85 57.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -113.13 16.28 19.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.733 HD11 ' CB ' ' A' ' 86' ' ' LEU . 13.6 mt -113.19 -21.04 11.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.649 ' HG2' HG21 ' A' ' 82' ' ' THR . 48.7 mttt -83.75 4.42 28.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -132.75 53.69 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HD1' HD23 ' A' ' 67' ' ' LEU . 43.5 t80 -97.62 -58.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' HD1' ' A' ' 66' ' ' PHE . 25.3 mt -52.61 -27.91 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.29 -45.36 84.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -49.72 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.51 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.645 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.4 tp10 -71.22 123.6 22.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -92.06 18.68 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -131.39 6.14 5.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.26 174.0 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.84 -72.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 77' ' ' LEU . 3.4 t -144.64 160.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -105.29 -176.61 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.8 p -104.91 163.23 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.61 -16.07 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -51.58 9.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.74 -56.01 24.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.649 HG21 ' HG2' ' A' ' 64' ' ' LYS . 41.1 p -53.65 -47.51 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -47.77 -45.05 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -90.17 44.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.587 ' CD1' HD22 ' A' ' 63' ' ' LEU . 6.0 t80 -136.5 -40.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.733 ' CB ' HD11 ' A' ' 63' ' ' LEU . 2.5 tm? -113.31 -34.01 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 18.71 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.12 -36.84 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -48.99 -69.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.98 176.46 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -137.68 47.74 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.61 -39.84 58.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.23 -61.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.46 23.9 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.81 -11.69 71.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -57.59 123.42 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.623 HG23 ' HB2' ' A' ' 101' ' ' GLU . 20.0 mm -87.45 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.3 54.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.51 35.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.12 -37.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.623 ' HB2' HG23 ' A' ' 97' ' ' ILE . 59.8 mt-10 -74.47 -61.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' A' ' 97' ' ' ILE . 5.4 t80 -56.68 -24.37 48.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.744 ' HG3' HD12 ' A' ' 43' ' ' LEU . 1.3 mp0 -68.77 -49.52 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.68 -21.65 65.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.05 -51.48 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.42 -53.44 46.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -57.4 -33.94 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.785 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 70' ' ' PHE . 34.6 tp -73.52 -48.32 34.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.467 HG21 ' HB3' ' A' ' 8' ' ' PRO . 33.8 p -113.66 47.01 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -77.56 -55.39 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.63 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -73.91 -16.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.04 -170.1 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.39 122.55 34.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HB3' HG21 ' A' ' 3' ' ' THR . 53.5 Cg_endo -69.73 -11.99 32.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -90.22 15.54 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.29 -34.5 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 70' ' ' PHE . 7.4 mt -67.15 -28.06 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.52 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -25.89 67.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.37 -46.11 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.826 HD11 ' HB2' ' A' ' 70' ' ' PHE . 83.8 mt -55.84 -24.92 39.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -91.76 -56.23 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.35 -41.36 69.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 m -99.15 20.93 12.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.54 -26.04 41.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.07 161.09 51.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.77 148.72 65.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.93 32.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -117.68 -21.76 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 67' ' ' LEU . 26.0 t80 -95.44 145.57 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -160.66 154.02 18.45 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.676 0.751 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -24.6 29.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.51 27.86 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -134.68 -40.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.5 p90 -85.83 -10.28 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.514 ' HB2' HG13 ' A' ' 106' ' ' VAL . 14.4 p90 -55.42 -32.49 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.92 -25.12 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 29' ' ' PHE . 15.9 mt -79.01 -63.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -55.52 -58.86 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.5 41.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.581 ' HB3' HG11 ' A' ' 106' ' ' VAL . 27.0 mtm -94.6 -25.71 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 p -54.17 -33.01 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -66.78 -27.21 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 7.5 mmpt? -50.61 171.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -148.6 34.22 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t 65.79 12.63 8.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -111.31 -10.72 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.528 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.2 mp0 -117.49 -26.96 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 103' ' ' GLN . 8.8 mt -49.45 -39.97 35.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -12.62 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 17.3 tp10 -57.39 -46.11 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.63 HD11 HG21 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -86.38 -23.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ILE . 30.4 p90 37.02 46.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HG2' HG22 ' A' ' 46' ' ' ILE . 5.1 ptp180 -146.87 10.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -124.89 -3.69 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 102' ' ' PHE . 3.1 mt -115.3 -66.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -146.68 139.79 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -104.32 20.06 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -106.52 -46.01 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 55.25 25.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -87.58 -25.97 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.02 -61.72 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -123.01 -169.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.484 HD11 ' OD2' ' A' ' 51' ' ' ASP . 14.8 mt -128.73 153.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.09 164.43 27.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.94 -21.93 59.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.07 -5.62 52.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -116.96 16.32 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 HD23 ' A' ' 86' ' ' LEU . 27.6 mt -108.4 -47.11 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' HG3' HG21 ' A' ' 82' ' ' THR . 9.7 mtpt -57.37 167.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 60.05 22.0 11.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HD1' HD23 ' A' ' 67' ' ' LEU . 38.2 t80 -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.538 HD23 ' HD1' ' A' ' 66' ' ' PHE . 17.0 mt -50.98 -29.8 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.597 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 2.8 tt0 -52.11 -28.84 19.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -63.14 -70.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.826 ' HB2' HD11 ' A' ' 15' ' ' LEU . 61.6 m-85 -66.85 -54.8 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -47.58 162.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -66.14 -45.46 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.19 59.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -59.76 -177.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 -71.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -146.76 163.88 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -103.91 -175.54 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.7 p -105.47 -179.81 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.05 2.85 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -107.36 -47.05 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 84' ' ' THR . 5.0 mm-40 -62.9 -47.88 81.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.546 HG21 ' HG3' ' A' ' 64' ' ' LYS . 33.3 p -72.16 -36.29 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.742 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 23.8 ttpp -59.03 -23.47 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 81' ' ' GLU . 12.8 t -104.44 31.3 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.27 -47.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.784 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -117.48 -22.94 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -82.42 -18.98 39.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.03 13.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.58 -42.72 62.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -152.51 167.46 28.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -135.32 28.23 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.92 -30.73 59.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.57 -72.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -125.73 -1.21 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.37 16.4 16.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 111.94 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.315 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 101' ' ' GLU . 19.2 mm -76.74 155.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.16 55.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.94 28.28 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -136.63 -37.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 97' ' ' ILE . 20.8 mm-40 -75.91 -57.72 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CD1' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -52.75 -37.17 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.657 ' HG3' HD12 ' A' ' 43' ' ' LEU . 19.0 mp0 -73.78 -60.21 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -52.14 -29.19 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.56 ' CE ' ' HB2' ' A' ' 89' ' ' ALA . 30.8 ttm -65.39 -69.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 35' ' ' MET . 20.6 t -58.13 -36.76 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -56.52 -31.75 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.79 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.634 ' OG ' HG23 ' A' ' 46' ' ' ILE . 2.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.911 0.386 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.645 HD21 ' CD1' ' A' ' 70' ' ' PHE . 1.3 tt -163.16 -52.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.572 ' CG2' HD23 ' A' ' 2' ' ' LEU . 8.3 p -103.72 5.61 36.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -75.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.658 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -67.08 -24.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.754 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -98.03 -170.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -112.66 120.09 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.729 0.776 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -18.19 37.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -95.08 26.37 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.27 -35.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 70' ' ' PHE . 18.9 mt -57.93 -36.04 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.85 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.26 -15.97 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.618 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -98.39 -46.68 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.677 ' CD2' HD22 ' A' ' 67' ' ' LEU . 96.2 mt -57.88 -19.66 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -99.53 -41.85 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -54.39 -45.56 72.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -117.72 38.34 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.77 -16.7 59.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -73.13 159.77 84.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.71 137.05 34.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.24 19.58 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 t -108.98 -21.79 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -95.33 144.18 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -155.28 160.27 31.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.59 7.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -92.23 34.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -138.41 -40.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.0 p90 -83.88 -14.7 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' HB2' HG13 ' A' ' 106' ' ' VAL . 12.1 p90 -54.16 -27.51 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -89.62 -29.95 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 29' ' ' PHE . 6.8 mt -79.08 -65.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.44 ' OG ' HD22 ' A' ' 6' ' ' LEU . 33.2 t -51.47 -38.24 52.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 44.61 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.754 ' HG2' HD11 ' A' ' 6' ' ' LEU . 9.5 mtm -99.32 -18.41 17.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -54.16 -33.03 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -66.14 -26.68 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -56.2 -177.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -166.04 41.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p 61.43 18.83 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -120.01 -6.17 10.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' O ' HD12 ' A' ' 46' ' ' ILE . 9.2 mp0 -128.12 -15.81 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.688 ' O ' HD11 ' A' ' 49' ' ' ILE . 6.3 mt -59.68 -58.96 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -16.26 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 22.5 tp10 -50.29 -46.97 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 5' ' ' ILE . 3.5 mp -83.76 -21.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 36.6 p90 38.99 38.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HB2' HG22 ' A' ' 46' ' ' ILE . 7.6 mmm180 -140.55 13.81 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.706 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -132.44 4.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.553 HD13 HE22 ' A' ' 103' ' ' GLN . 7.3 mt -126.7 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -139.16 103.88 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.63 -15.5 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -81.79 -40.38 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 53.66 27.52 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -77.1 -25.29 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.16 -16.44 1.02 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -163.43 -168.4 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.572 HD12 HG13 ' A' ' 97' ' ' ILE . 20.4 mt -128.47 154.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -137.0 165.36 26.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -57.71 -20.98 38.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.07 -4.57 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -124.95 25.7 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.726 HD21 HD23 ' A' ' 86' ' ' LEU . 38.6 mt -117.1 -26.47 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -83.69 3.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -121.22 44.36 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -91.67 -70.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 15' ' ' LEU . 21.0 mt -53.87 -24.63 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.608 ' N ' ' HB3' ' A' ' 74' ' ' ALA . 4.8 tt0 -50.06 -26.63 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -84.76 -70.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.645 ' CD1' HD21 ' A' ' 2' ' ' LEU . 85.4 m-85 -50.24 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -57.86 -30.93 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 t 65.3 14.11 9.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.1 19.79 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HB3' ' N ' ' A' ' 68' ' ' GLN . . . -79.49 126.06 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -74.68 -81.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -149.61 117.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -53.99 175.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -175.95 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.82 -12.33 36.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.05 -46.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.05 -55.84 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 63' ' ' LEU . 60.4 p -54.87 -36.33 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 55.4 tttt -58.05 -42.72 86.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -90.69 42.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.411 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.74 -53.51 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.726 HD23 HD21 ' A' ' 63' ' ' LEU . 4.1 pp -118.85 -20.17 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.618 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -86.37 2.39 47.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.1 -10.34 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -60.94 -67.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -162.21 176.06 11.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -121.62 36.19 4.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -53.9 -35.83 62.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.7 -59.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.04 26.0 1.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.49 17.08 68.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -66.19 101.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.572 HG13 HD12 ' A' ' 58' ' ' ILE . 38.6 mm -61.51 148.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.4 50.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.527 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.6 50.8 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.26 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 24.2 mt-10 -76.23 -31.02 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.48 -35.46 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.676 ' HG3' HD12 ' A' ' 43' ' ' LEU . 11.1 mp0 -64.69 -37.92 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.49 -25.54 54.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.1 ttp -67.01 -28.57 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 30' ' ' PHE . 38.6 t -87.52 -53.76 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -52.63 -45.15 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.815 0.341 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.47 -73.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.736 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -55.47 -24.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -118.73 -165.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -120.54 141.14 31.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.751 . . . . 0.0 110.839 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -15.4 37.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p -94.58 24.56 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -128.23 -35.27 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 7' ' ' SER . 2.9 mp -71.71 -23.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.95 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . . . -60.6 -18.66 54.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.59 -28.76 8.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 67' ' ' LEU . 59.2 mt -70.41 -16.55 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -113.16 -22.34 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.83 -19.3 21.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 m -113.81 23.62 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.67 -23.87 63.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -59.43 160.79 12.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.72 133.05 24.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 57.62 23.56 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -102.51 -25.98 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.668 ' CE2' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -95.57 127.07 41.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.31 160.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -36.02 11.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -92.8 30.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -134.52 -40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.793 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.3 p90 -80.85 -19.47 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -54.86 -33.71 62.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -83.21 -17.33 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 29' ' ' PHE . 12.3 mt -88.86 -60.16 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 p -59.47 -66.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.725 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 155.13 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.404 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 10.7 mtm -101.51 2.71 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -79.13 -7.62 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -110.63 7.51 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -61.26 -172.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.46 ' N ' HE22 ' A' ' 42' ' ' GLN . 1.5 m -171.24 35.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m 59.93 19.22 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -123.73 -5.28 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.564 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -123.53 -21.57 5.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 103' ' ' GLN . 20.3 mt -55.49 -70.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -20.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 2.2 tp10 -49.35 -47.66 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.736 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.4 mp -84.45 -22.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 p90 38.01 42.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HB2' HG22 ' A' ' 46' ' ' ILE . 8.4 mtm-85 -143.82 14.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.58 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -118.21 -19.32 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.45 -64.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.41 ' OD1' HD11 ' A' ' 58' ' ' ILE . 1.3 p-10 -156.43 149.77 24.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -95.89 38.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.23 -47.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 51.71 34.79 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 p -95.2 -21.86 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.24 -68.94 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -122.95 -170.03 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.504 HD12 ' HB ' ' A' ' 97' ' ' ILE . 19.3 mt -129.68 153.11 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.06 165.41 25.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.65 -21.41 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -73.43 -7.63 52.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.59 19.07 14.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.607 HD11 ' CD2' ' A' ' 86' ' ' LEU . 11.2 mt -119.91 -47.41 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -45.23 -36.68 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -104.67 47.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -92.26 -61.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.668 HD21 ' CE2' ' A' ' 24' ' ' PHE . 28.1 mt -51.67 -30.15 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.498 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -52.42 -29.0 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -63.87 -73.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' HB2' HD11 ' A' ' 15' ' ' LEU . 86.9 m-85 -62.56 -55.71 24.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -49.29 162.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.09 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -169.66 64.18 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' HB3' ' CA ' ' A' ' 68' ' ' GLN . . . -54.26 174.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.548 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -119.55 -62.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -164.4 159.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -105.76 169.51 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -77.14 -171.5 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.68 7.83 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.544 ' O ' HG22 ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.38 -53.8 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.04 -32.27 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 63' ' ' LEU . 51.7 p -86.64 -49.17 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 15.7 ttmm -56.6 -21.06 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 80' ' ' SER . 14.4 t -99.56 20.92 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.63 -41.03 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -120.23 -22.55 6.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -97.33 14.65 25.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -112.45 -36.99 5.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.545 ' HB2' ' CE ' ' A' ' 105' ' ' MET . . . -49.54 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.739 0.304 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 102' ' ' PHE . 19.6 mm -82.32 146.89 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.78 58.84 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.78 34.46 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.88 -37.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' HB2' HD12 ' A' ' 97' ' ' ILE . 17.5 mm-40 -81.33 -51.76 8.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.516 ' HB2' HG21 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -52.05 -37.26 53.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.788 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.3 mp0 -66.46 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.6 -26.8 23.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.545 ' CE ' ' HB2' ' A' ' 89' ' ' ALA . 28.0 ttm -65.07 -49.82 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.73 -48.99 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 43' ' ' LEU . 3.7 mm100 -58.31 -38.47 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.658 HG22 HD13 ' A' ' 11' ' ' ILE . 11.9 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.779 0.324 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.57 -74.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.772 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -67.68 -24.42 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.744 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -91.28 -169.9 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.404 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -106.83 116.34 58.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.702 0.763 . . . . 0.0 110.845 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.63 30.53 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -92.26 15.82 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.96 -35.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.793 HG21 ' CD1' ' A' ' 70' ' ' PHE . 14.9 mt -61.54 -28.2 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.47 62.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.64 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -84.21 -46.3 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 71' ' ' GLU . 77.3 mt -55.61 -25.66 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -94.38 -16.29 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -108.05 19.29 20.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.12 16.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.86 -16.52 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -79.79 157.13 74.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.76 144.29 53.54 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 51.21 30.74 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -114.5 -20.63 10.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 67' ' ' LEU . 19.3 t80 -95.99 143.85 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.42 158.34 11.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.77 -38.35 7.89 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.97 13.69 12.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -120.02 -33.13 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.798 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.2 p90 -90.35 -20.15 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -52.96 -30.8 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.78 -25.92 26.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 29' ' ' PHE . 21.6 mt -78.46 -48.1 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.421 ' HB2' HD22 ' A' ' 6' ' ' LEU . 94.7 p -76.4 -56.72 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.29 42.49 0.16 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.744 ' HG2' HD11 ' A' ' 6' ' ' LEU . 4.8 mtm -88.87 -30.76 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.0 -33.29 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -60.49 -34.15 73.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -51.28 169.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 p -144.93 46.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p 58.49 20.41 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -118.73 -12.32 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.2 1.16 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -61.99 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.05 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 10.5 tp10 -61.83 -45.57 93.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.772 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.8 mp -84.18 -23.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.4 p90 38.16 40.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.761 ' HB2' HG22 ' A' ' 46' ' ' ILE . 33.8 mtm-85 -140.66 11.88 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.504 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -122.7 -5.53 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -111.17 -64.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' OD1' HD11 ' A' ' 58' ' ' ILE . 1.1 p-10 -152.71 163.42 39.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -115.62 -9.06 12.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.43 -55.52 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 59.92 20.61 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.1 m -77.51 -21.67 52.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.42 -18.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -163.24 -171.08 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.449 HD11 ' OD1' ' A' ' 51' ' ' ASP . 12.7 mt -128.97 158.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 58' ' ' ILE . 25.0 tt0 -147.6 166.63 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.83 -20.37 49.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -81.38 -3.6 53.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -123.49 25.29 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.666 HD21 HD23 ' A' ' 86' ' ' LEU . 66.2 mt -110.3 -49.53 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 77' ' ' LEU . 2.2 pttm -58.71 168.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 25.7 m-85 58.96 27.25 16.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -82.35 -49.48 9.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.3 mt -55.57 -23.27 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -17.06 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.71 -52.75 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.793 ' CD1' HG21 ' A' ' 11' ' ' ILE . 69.3 m-85 -81.55 -63.71 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB2' HD13 ' A' ' 15' ' ' LEU . 48.1 tp10 -56.51 -39.3 73.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t 63.62 15.93 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.55 -32.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.09 176.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.71 -57.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.568 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 3.9 t -142.94 157.89 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.638 HD23 ' OE1' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -104.6 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 p -107.6 170.25 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.06 -13.38 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -55.37 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.638 ' OE1' HD23 ' A' ' 77' ' ' LEU . 42.8 mt-10 -58.51 -59.24 5.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 63' ' ' LEU . 40.2 p -51.06 -47.18 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 54.6 tttt -50.66 -44.92 57.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.26 41.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 63' ' ' LEU . 1.8 t80 -120.24 -47.49 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.666 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -116.96 -23.0 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.648 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -84.38 1.93 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.61 -37.31 13.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 105' ' ' MET . . . -98.5 -10.81 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.754 0.311 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.785 HG23 ' HB2' ' A' ' 101' ' ' GLU . 10.2 mm -76.27 157.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.66 68.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.59 48.63 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.55 -46.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.785 ' HB2' HG23 ' A' ' 97' ' ' ILE . 7.6 mt-10 -75.16 -46.15 36.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -23.7 50.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.428 HE21 ' N ' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -75.4 -49.8 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.02 -24.92 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.718 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 10.1 ttp -65.59 -26.22 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.47 -53.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -60.18 -30.75 69.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.82 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 8' ' ' PRO . 21.4 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -76.38 -61.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.619 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -115.51 -168.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -117.52 121.12 32.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.648 ' HA ' HD12 ' A' ' 11' ' ' ILE . 53.2 Cg_endo -69.78 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -84.63 5.12 29.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.98 -34.99 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.787 HG21 ' CD1' ' A' ' 70' ' ' PHE . 7.9 mt -62.12 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -31.95 67.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.97 -19.97 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.63 -45.65 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.608 ' CD2' HD22 ' A' ' 67' ' ' LEU . 72.5 mt -54.28 -27.37 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -88.4 -57.6 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -52.27 -41.87 63.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -105.73 24.42 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.27 -21.94 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -70.59 159.76 83.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.2 Cg_endo -69.79 138.34 37.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 62.11 23.62 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -115.57 -20.03 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -104.04 149.32 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.7 m -160.59 156.85 22.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.55 10.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.29 27.01 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.57 -37.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.792 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -86.14 -11.48 52.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -51.88 -33.16 35.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -88.24 -32.02 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.8 mt -70.29 -61.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 p -59.21 -51.91 67.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.619 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 127.62 31.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mtm -83.86 -18.9 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -52.95 -33.18 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -65.21 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HZ2' HG23 ' A' ' 5' ' ' ILE . 6.5 mmpt? -50.64 168.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -150.18 42.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.5 t 59.23 21.77 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -120.44 -12.25 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.605 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -122.58 -17.52 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.661 ' HA ' HD11 ' A' ' 49' ' ' ILE . 3.4 mt -52.4 -30.49 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -21.05 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.58 -44.04 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 5' ' ' ILE . 2.1 mp -82.97 -18.28 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.61 40.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.579 ' HB2' HG22 ' A' ' 46' ' ' ILE . 42.6 mtt180 -139.32 9.31 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 43' ' ' LEU . 28.3 pt -120.6 -24.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.71 -66.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' OD1' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -152.21 145.25 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -96.32 20.48 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.36 -44.88 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 51.0 37.26 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -93.59 -14.24 26.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.23 -69.53 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.0 -173.43 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.547 HD11 ' OD1' ' A' ' 51' ' ' ASP . 21.3 mt -129.12 154.51 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -140.41 172.47 12.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.23 -20.58 42.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.16 -5.28 43.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.0 21.39 11.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 85' ' ' PHE . 11.7 mt -119.75 -18.98 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.685 ' HG2' HG21 ' A' ' 82' ' ' THR . 23.1 mttm -82.79 -4.37 57.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -123.14 52.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -96.3 -63.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' A' ' 15' ' ' LEU . 20.1 mt -54.14 -24.36 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -55.87 -21.25 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.86 -71.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.787 ' CD1' HG21 ' A' ' 11' ' ' ILE . 71.7 m-85 -52.08 -70.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.3 -35.0 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 63.96 15.14 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.55 13.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -79.9 174.15 11.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.34 -69.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 t -146.38 156.9 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.11 170.43 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 p -76.65 -177.14 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.28 -19.67 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -85.37 -52.37 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 84' ' ' THR . 5.1 mm-40 -50.27 -46.92 55.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.685 HG21 ' HG2' ' A' ' 64' ' ' LYS . 74.1 p -71.66 -27.47 63.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.617 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.7 tptm -70.58 -22.61 62.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 81' ' ' GLU . 9.2 t -101.55 28.56 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HB2' HD13 ' A' ' 63' ' ' LEU . 2.0 m-85 -105.2 -58.69 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -117.44 -22.93 7.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.662 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -79.89 -2.03 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.2 -39.81 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.4 mttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.687 HG23 ' HB2' ' A' ' 101' ' ' GLU . 18.3 mm -77.94 145.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.81 54.85 0.66 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.63 29.3 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.93 -37.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.687 ' HB2' HG23 ' A' ' 97' ' ' ILE . 27.1 mt-10 -71.61 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.59 -36.73 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.3 mp0 -71.73 -58.14 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.94 -27.45 31.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.1 ttm -64.91 -67.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.65 -54.14 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -57.05 -36.66 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.831 0.348 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -77.08 -64.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -70.52 -14.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 -171.06 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 t -104.24 131.38 21.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.743 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.09 29.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -93.72 31.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.63 -46.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.76 HG21 ' CD2' ' A' ' 70' ' ' PHE . 5.8 mt -59.69 -23.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.99 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.84 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -95.74 -36.74 11.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 71' ' ' GLU . 68.7 mt -60.22 -21.21 61.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -98.88 -41.65 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.72 -5.93 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.1 m -132.42 25.12 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -14.42 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -81.66 160.23 64.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.79 140.03 41.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.58 25.21 12.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -115.08 -21.6 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -97.87 149.55 22.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -166.71 160.03 11.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.74 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -37.2 9.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.75 33.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -137.68 -40.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -82.87 -16.08 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.445 ' HB2' HG13 ' A' ' 106' ' ' VAL . 9.1 p90 -57.94 -27.34 63.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.07 -31.98 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.602 ' CG2' ' HB2' ' A' ' 14' ' ' ALA . 12.1 mt -75.17 -58.06 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.2 m -58.71 -51.95 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.08 32.64 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -88.0 -20.58 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 p -53.85 -33.58 56.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -66.21 -28.66 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.549 ' CB ' HD21 ' A' ' 43' ' ' LEU . 5.5 mmpt? -55.12 178.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -152.64 42.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.404 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 1.4 p 61.44 17.69 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.08 -11.33 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG2' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -124.39 -12.81 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 103' ' ' GLN . 5.4 mt -61.64 -50.7 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -83.2 4.04 28.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -72.08 -45.6 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.1 mp -71.08 -39.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.02 33.63 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -139.43 6.22 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -118.39 -8.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.34 -64.73 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 171.89 15.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -120.46 6.92 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -106.04 -35.69 7.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.93 29.56 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -84.96 -44.44 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.64 -51.24 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -121.78 -179.09 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mt -129.51 156.3 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -134.38 164.47 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -58.71 -20.76 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -79.06 -4.44 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -122.36 24.92 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.798 HD21 HD23 ' A' ' 86' ' ' LEU . 44.2 mt -113.53 -51.2 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 77' ' ' LEU . 15.7 pttp -51.44 170.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.655 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 19.6 m-85 59.54 24.34 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -77.77 -48.81 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.8 mt -56.21 -21.48 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 3.0 tt0 -72.54 -28.49 62.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -54.73 -57.72 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.76 ' CD2' HG21 ' A' ' 11' ' ' ILE . 55.1 m-85 -84.97 -49.6 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.753 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.5 tp10 -83.34 132.65 34.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -93.17 16.3 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -124.46 -1.41 8.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.94 173.64 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.756 0.312 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.2 -73.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.655 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 2.9 t -142.16 161.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 64' ' ' LYS . 7.6 mt -104.41 -174.82 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.2 p -104.45 -176.99 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.03 -0.56 35.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.032 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.98 -55.69 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 84' ' ' THR . 5.3 mm-40 -51.02 -47.37 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' HD13 ' A' ' 63' ' ' LEU . 68.3 p -71.73 -45.22 62.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 66.1 tttt -54.42 -23.28 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 81' ' ' GLU . 14.3 t -104.7 28.59 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -47.67 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.798 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -115.29 -23.25 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -85.3 2.95 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.64 -9.88 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -53.52 -67.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.469 HD13 ' OE1' ' A' ' 101' ' ' GLU . 28.5 mm -85.87 150.73 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.09 56.49 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.46 32.45 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.59 -58.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 89.3 mt-10 -56.16 -56.44 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -54.4 -50.31 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.749 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.7 mp0 -54.77 -55.19 32.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -53.63 -46.99 70.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.9 ttp -48.99 -27.76 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.445 HG13 ' HB2' ' A' ' 30' ' ' PHE . 34.5 t -85.15 -50.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.556 HE21 HD11 ' A' ' 43' ' ' LEU . 58.1 mm-40 -61.06 -22.62 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 -179.795 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.693 HG22 HD13 ' A' ' 11' ' ' ILE . 10.4 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.41 -69.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.683 ' CG2' HD11 ' A' ' 46' ' ' ILE . 1.1 tp -62.55 -24.87 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.73 -172.77 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.8 137.87 19.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -13.2 34.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -93.86 22.04 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.13 -50.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.708 HG21 ' CD1' ' A' ' 70' ' ' PHE . 4.8 mt -61.8 -19.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.93 -26.36 56.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.88 -16.21 62.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.08 -36.31 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.552 ' CD2' HD22 ' A' ' 67' ' ' LEU . 55.7 mt -57.28 -28.08 62.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -90.89 -21.05 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.04 19.49 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.1 p -146.87 20.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.12 -22.48 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -70.33 159.79 83.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.2 Cg_endo -69.68 132.87 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.4 t0 57.23 23.44 8.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 t -97.91 -16.39 19.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -95.59 144.28 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -161.09 157.87 23.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.651 0.739 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.01 9.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -92.63 36.57 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -134.87 -39.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.743 ' HA ' HD12 ' A' ' 32' ' ' ILE . 6.0 p90 -86.03 -18.66 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' HG13 ' A' ' 106' ' ' VAL . 10.7 p90 -51.12 -31.16 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -89.21 -31.71 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 29' ' ' PHE . 24.4 mt -69.65 -62.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 p -59.15 -46.98 86.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.76 27.0 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.433 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.87 -18.23 56.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -32.36 54.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -64.15 -27.64 69.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.34 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -167.02 50.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m 56.12 23.36 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -121.55 -6.12 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.573 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -133.7 -9.53 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' A' ' 103' ' ' GLN . 13.4 mt -62.35 -33.82 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -0.45 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.76 -45.0 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.4 mp -84.0 -18.76 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.5 p90 37.9 42.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.586 ' HB2' HG22 ' A' ' 46' ' ' ILE . 5.2 mtt-85 -141.51 11.99 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 pt -122.7 -27.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.42 -67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -144.39 175.17 10.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -133.37 28.78 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -129.83 -46.87 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 51.56 30.18 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -89.42 -58.19 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -148.27 -41.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.92 168.48 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mt -90.11 162.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -152.46 170.04 21.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.68 -23.23 62.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.89 -10.51 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' ' 63' ' ' LEU . 15.6 mm-40 -117.48 27.87 8.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.972 HD21 HD21 ' A' ' 86' ' ' LEU . 20.6 mt -126.38 -45.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -60.11 -10.8 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -113.74 32.39 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -80.56 -68.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 15' ' ' LEU . 20.5 mt -55.57 -24.82 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -50.99 -28.0 8.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.1 mmp_? -86.31 -70.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.708 ' CD1' HG21 ' A' ' 11' ' ' ILE . 83.6 m-85 -51.19 -61.19 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.52 170.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -62.19 -34.79 77.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.74 60.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -53.64 174.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.586 ' O ' HG13 ' A' ' 76' ' ' VAL . 1.7 ptt85 -123.2 -52.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -165.57 156.41 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.495 HD21 HD11 ' A' ' 67' ' ' LEU . 3.7 mt -105.56 170.09 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.3 p -76.9 -174.57 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.08 6.99 33.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.0 m -113.65 -54.14 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.77 -32.33 51.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.565 ' O ' HD13 ' A' ' 63' ' ' LEU . 50.4 p -88.93 -34.67 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -69.26 -13.08 62.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 9.3 t -102.82 24.28 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.81 -59.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.972 HD21 HD21 ' A' ' 63' ' ' LEU . 7.3 mt -76.26 -65.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.12 -21.9 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -51.42 -60.25 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.592 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -51.5 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.653 ' O ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.688 HG23 ' HB2' ' A' ' 101' ' ' GLU . 23.0 mm -134.09 150.71 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.51 55.52 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.87 44.47 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -152.28 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.688 ' HB2' HG23 ' A' ' 97' ' ' ILE . 39.1 mt-10 -77.2 -54.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.428 ' HB2' HG21 ' A' ' 97' ' ' ILE . 1.1 t80 -59.69 -23.16 62.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.639 ' HG3' HD12 ' A' ' 43' ' ' LEU . 2.9 mp0 -76.26 -49.35 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.16 -16.11 64.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.592 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 10.3 ttp -73.71 -45.32 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 30' ' ' PHE . 45.1 t -78.94 -36.31 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -89.79 2.78 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.539 ' CG2' HD13 ' A' ' 11' ' ' ILE . 10.2 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.816 0.341 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -76.45 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.452 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -56.38 -24.55 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -116.26 -168.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.46 128.26 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.68 0.752 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -20.06 35.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -94.84 30.14 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.67 -34.96 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.58 HG21 ' CG ' ' A' ' 70' ' ' PHE . 4.2 mp -70.03 -26.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.38 -27.04 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 -17.7 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.621 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -107.4 -36.39 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.745 ' CD2' HD22 ' A' ' 67' ' ' LEU . 84.4 mt -55.11 -26.21 36.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -22.52 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.78 20.44 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 p -134.71 7.48 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.88 -21.19 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -67.96 160.08 76.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.72 133.69 26.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 53.58 26.94 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.32 -16.61 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 67' ' ' LEU . 16.2 t80 -102.22 144.59 30.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 p -169.09 154.7 6.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.08 34.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -98.47 15.06 26.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -123.16 -40.06 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.725 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.1 p90 -81.9 -15.93 52.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -53.47 -28.07 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -94.76 -31.74 13.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 29' ' ' PHE . 16.5 mt -69.33 -47.87 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.9 p -75.7 -51.5 12.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 126.57 32.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.551 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtm -83.32 -23.27 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -33.22 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -65.98 -29.46 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.568 ' CB ' HD21 ' A' ' 43' ' ' LEU . 6.7 mmpt? -52.6 174.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -153.6 40.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p 63.54 15.95 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -113.68 -10.7 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.502 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -127.13 -9.85 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' A' ' 103' ' ' GLN . 11.8 mt -64.93 -55.63 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.28 4.94 28.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.0 -45.46 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 42' ' ' GLN . 4.0 mp -74.64 -33.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 56.05 38.29 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 46' ' ' ILE . 33.2 mtm180 -147.66 16.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -135.05 4.14 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.92 -68.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.56 119.42 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -73.59 -56.78 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -71.79 -22.17 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 50.65 31.67 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 p -68.05 -14.1 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.09 8.11 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -175.49 178.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 mt -129.11 152.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -139.51 170.68 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 -57.72 -22.18 45.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.6 -4.85 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -124.24 24.52 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 86' ' ' LEU . 29.1 mt -115.18 -46.5 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -10.38 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.08 48.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -96.18 -63.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.745 HD22 ' CD2' ' A' ' 15' ' ' LEU . 26.0 mt -53.27 -23.74 9.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.576 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.8 OUTLIER -53.23 -23.89 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -85.41 -72.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.58 ' CG ' HG21 ' A' ' 11' ' ' ILE . 71.6 m-85 -51.93 -60.41 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.0 169.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -70.17 -32.76 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -178.01 58.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -53.62 173.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -126.76 -71.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.53 156.01 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.36 175.35 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -75.79 178.62 6.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.19 -4.17 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -103.29 -52.24 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.91 -46.55 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.531 ' O ' HD13 ' A' ' 63' ' ' LEU . 79.3 p -69.33 -47.27 64.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.84 -43.55 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 t -88.17 41.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 63' ' ' LEU . 17.4 t80 -120.08 -49.63 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -117.93 -22.71 7.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.643 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -92.79 9.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.9 -37.99 8.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.683 ' HB3' HD11 ' A' ' 97' ' ' ILE . . . -50.96 -71.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 pttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 89' ' ' ALA . 42.2 mm -87.17 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.32 -92.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.29 21.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -121.43 -29.33 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -93.97 -45.77 7.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.11 -48.19 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.817 ' HG3' HD12 ' A' ' 43' ' ' LEU . 2.2 mp0 -49.37 -54.24 18.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.71 -48.18 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.7 ttp -49.92 -27.85 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.51 -49.49 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -50.88 -38.04 47.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.707 HG22 ' CD1' ' A' ' 11' ' ' ILE . 3.2 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.803 0.335 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -77.7 -66.37 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -66.62 -25.83 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -115.56 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.47 138.89 20.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HB3' HG21 ' A' ' 3' ' ' THR . 53.5 Cg_endo -69.79 -12.67 33.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.23 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 p -90.25 14.44 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -125.57 -34.6 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.779 HG21 ' CD1' ' A' ' 70' ' ' PHE . 11.9 mt -67.51 -21.05 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.9 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.66 56.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.17 -31.5 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 70' ' ' PHE . 69.5 mt -69.57 -13.44 62.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -107.39 -41.56 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.4 -7.28 53.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 m -126.11 42.32 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.34 -24.1 32.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.31 160.08 61.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.78 138.52 37.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 t0 53.84 27.2 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -110.96 -17.53 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 67' ' ' LEU . 46.8 t80 -97.8 150.88 20.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -171.76 159.81 4.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.35 29.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -95.58 31.47 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -134.64 -40.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.2 p90 -80.58 -18.59 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -57.77 -30.91 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -92.3 -31.68 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 29' ' ' PHE . 25.8 mt -72.37 -59.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -59.26 -55.11 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.704 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 130.23 42.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.5 mtm -98.56 -18.88 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.0 t -53.34 -37.09 62.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -27.6 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -55.37 -179.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -161.76 53.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t 52.53 26.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -122.8 -6.07 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.487 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -134.19 -16.16 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.808 HD12 ' HG3' ' A' ' 103' ' ' GLN . 11.7 mt -54.47 -45.09 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.564 ' HA ' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -86.37 4.38 39.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -78.28 -45.28 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.502 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.0 mp -70.61 -29.31 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 54.05 30.1 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -146.13 15.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 43' ' ' LEU . 19.6 pt -120.35 -22.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 44' ' ' LYS . 1.3 mt -95.75 -66.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.5 153.06 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -102.78 54.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.08 -54.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.2 31.78 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -90.99 -47.81 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.48 -57.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -158.74 165.43 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.596 HD12 ' HB ' ' A' ' 97' ' ' ILE . 12.3 mt -90.49 157.72 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 58' ' ' ILE . 9.1 tp10 -147.53 167.52 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.81 -21.28 41.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.14 -4.29 43.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.24 22.76 7.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.696 HD11 ' CD2' ' A' ' 86' ' ' LEU . 58.3 mt -108.88 -46.1 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.38 -42.4 82.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -80.44 41.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' HD1' HD23 ' A' ' 67' ' ' LEU . 46.5 t80 -90.86 -62.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD23 ' HD1' ' A' ' 66' ' ' PHE . 20.8 mt -50.93 -29.29 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -46.17 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.64 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.779 ' CD1' HG21 ' A' ' 11' ' ' ILE . 61.9 m-85 -61.85 -69.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.559 ' HB2' HD13 ' A' ' 15' ' ' LEU . 11.1 tt0 -67.29 125.94 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -94.79 23.41 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.29 7.76 3.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.25 173.02 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -75.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -145.35 111.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.3 mt -53.57 174.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.0 p -76.22 -178.4 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.65 -5.44 55.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.5 -45.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -53.36 -55.54 24.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 63' ' ' LEU . 73.1 p -54.7 -48.22 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 20.7 tptm -50.05 -44.15 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.67 42.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' CD1' HD22 ' A' ' 63' ' ' LEU . 19.6 t80 -120.73 -48.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 63' ' ' LEU . 4.0 pp -116.57 -20.82 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.657 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -89.46 -28.21 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.45 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.96 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 pttm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.777 0.322 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.596 ' HB ' HD12 ' A' ' 58' ' ' ILE . 23.7 mm -87.55 145.88 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.34 63.0 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.23 44.21 28.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -149.29 -63.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HB2' HD12 ' A' ' 97' ' ' ILE . 78.2 mm-40 -57.38 -53.83 53.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.444 ' HB2' HG21 ' A' ' 97' ' ' ILE . 7.5 t80 -53.41 -47.81 69.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.808 ' HG3' HD12 ' A' ' 43' ' ' LEU . 1.8 mp0 -45.12 -39.4 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.79 -47.27 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.7 ttp -50.95 -27.28 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.26 -49.95 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -55.46 -26.52 42.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.808 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.571 ' CG2' HD13 ' A' ' 11' ' ' ILE . 14.6 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.769 0.319 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -76.69 -61.26 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.581 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -67.59 -25.01 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.58 -174.01 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -100.28 134.79 20.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.47 35.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -93.84 30.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.06 -35.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.571 HD13 ' CG2' ' A' ' 3' ' ' THR . 4.1 mp -67.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.65 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -19.39 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -90.61 -36.15 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.506 ' CD2' HD22 ' A' ' 67' ' ' LEU . 50.8 mt -74.03 -20.83 60.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -22.5 17.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.16 16.2 15.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.5 p -135.99 22.69 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.72 -17.1 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -75.6 159.75 80.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.699 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.75 133.14 24.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.61 25.59 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.04 -12.78 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.733 ' CE2' HD21 ' A' ' 67' ' ' LEU . 31.5 t80 -95.41 145.82 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -171.94 155.0 3.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.52 34.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.707 2.272 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -99.2 15.35 26.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -122.54 -34.92 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.712 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.5 p90 -86.24 -21.22 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.35 -31.31 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -87.12 -32.1 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.0 mt -71.78 -59.98 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 p -59.84 -40.0 87.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.37 17.76 6.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.6 mtm -69.57 -18.29 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 p -53.1 -34.9 58.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -64.44 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.516 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.3 mmpt? -51.9 171.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -151.73 45.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.429 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 43.0 t 58.04 21.32 7.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -118.92 -12.12 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -124.66 -15.98 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 103' ' ' GLN . 3.0 mt -55.56 -32.97 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 9.38 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -87.65 -29.6 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 42' ' ' GLN . 2.5 mp -91.7 -21.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.83 39.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.599 ' HB2' HG22 ' A' ' 46' ' ' ILE . 62.0 mtt180 -145.61 14.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -127.12 -2.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' A' ' 102' ' ' PHE . 3.4 mt -115.86 -65.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -138.72 -174.95 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -131.47 5.85 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -121.21 -38.61 2.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 52.39 29.1 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 t -67.74 -22.86 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.91 -22.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -164.06 -169.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.595 HD12 HG13 ' A' ' 97' ' ' ILE . 24.4 mt -128.31 152.68 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.16 168.23 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -57.95 -21.08 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -75.24 -5.27 43.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -121.34 24.0 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 86' ' ' LEU . 16.0 mt -121.03 -52.33 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.69 -37.58 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -106.04 50.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -94.64 -59.45 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.733 HD21 ' CE2' ' A' ' 24' ' ' PHE . 32.1 mt -51.46 -29.42 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.578 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 3.6 tt0 -48.23 -46.26 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -50.66 -71.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -62.75 -72.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.17 164.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -120.18 14.78 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.18 11.9 2.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.88 123.42 27.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.071 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -101.02 -73.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.96 110.95 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.632 HD11 ' HG ' ' A' ' 67' ' ' LEU . 1.3 mt -53.94 171.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.422 HG23 ' OE1' ' A' ' 81' ' ' GLU . 43.5 p -76.77 165.14 25.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.55 -2.02 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.49 -45.81 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.422 ' OE1' HG23 ' A' ' 78' ' ' THR . 35.1 mt-10 -54.88 -52.35 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.508 ' O ' HD13 ' A' ' 63' ' ' LEU . 81.0 p -52.7 -51.02 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 24.6 ttpt -49.82 -44.09 49.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 t -88.67 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.551 ' HD2' HD22 ' A' ' 63' ' ' LEU . 2.3 t80 -121.56 -48.09 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 63' ' ' LEU . 4.1 pp -118.05 -22.15 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.667 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.29 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 pttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.595 HG13 HD12 ' A' ' 58' ' ' ILE . 8.0 mm -87.25 160.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.3 51.1 0.29 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.96 39.03 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.337 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -150.9 -46.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.696 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 12.2 mm-40 -71.97 -50.63 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.501 ' CG ' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -52.97 -34.87 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.867 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.2 mp0 -65.98 -63.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.23 -25.43 33.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.4 ttm -64.68 -30.36 71.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.75 -48.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.429 ' NE2' ' H ' ' A' ' 40' ' ' SER . 44.3 mm-40 -62.8 -24.98 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.617 HG22 HD13 ' A' ' 11' ' ' ILE . 69.2 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -77.56 -73.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.686 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -58.05 -25.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.29 -173.3 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.22 136.72 19.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.693 0.758 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.506 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.4 Cg_endo -69.81 -13.88 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.9 p -94.12 24.4 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -123.83 -48.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.617 HD13 HG22 ' A' ' 3' ' ' THR . 4.9 mp -61.69 -24.76 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.24 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.46 -15.64 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 29' ' ' PHE . . . -93.07 -36.31 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD13 ' HB2' ' A' ' 71' ' ' GLU . 46.3 mt -74.55 -11.5 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -46.51 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -19.43 51.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.4 m -127.29 23.59 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -59.95 -21.62 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -72.26 160.26 83.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.76 141.53 45.47 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.82 22.6 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -115.86 -19.29 10.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 67' ' ' LEU . 53.5 t80 -100.29 143.93 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.25 160.63 21.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.88 9.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -92.43 28.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -132.58 -39.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.2 p90 -80.58 -22.57 40.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.11 -31.71 20.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -86.39 -30.56 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.7 mt -71.84 -47.51 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 m -76.04 -52.9 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.25 32.78 0.66 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.418 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 7.0 mtm -84.71 -23.99 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -53.77 -33.06 54.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.66 -27.67 67.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 35' ' ' MET . 2.9 mmpt? -57.53 -176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -168.63 56.06 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p 50.55 25.38 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 t -125.65 -10.88 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.468 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.54 -7.83 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.39 -69.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -17.83 55.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.11 -47.52 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.686 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.6 mp -83.92 -15.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.7 p90 38.54 39.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.683 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -144.32 13.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.501 HG22 ' HZ ' ' A' ' 70' ' ' PHE . 45.6 pt -117.73 -20.37 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 102' ' ' PHE . 5.2 mt -91.33 -66.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -156.97 178.88 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -117.43 -14.07 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -65.97 -40.38 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.77 21.91 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 m -86.19 -34.17 20.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.72 -49.79 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.06 -174.42 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HB ' HD23 ' A' ' 86' ' ' LEU . 9.8 mt -128.61 158.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 58' ' ' ILE . 3.4 tt0 -136.87 176.09 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.26 -22.38 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.22 -6.11 48.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -115.9 20.39 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 86' ' ' LEU . 18.2 mt -114.49 -51.78 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -47.11 -37.94 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.48 47.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 41.2 t80 -92.37 -48.88 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 77' ' ' LEU . 34.7 mt -51.8 -30.51 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -26.0 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -57.68 -52.71 64.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.77 ' HB2' HD11 ' A' ' 15' ' ' LEU . 24.5 m-85 -96.39 -61.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.836 ' HB2' HD13 ' A' ' 15' ' ' LEU . 7.2 tp10 -49.56 -46.45 48.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t 63.18 15.59 8.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -130.42 -31.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.21 174.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 t -142.73 152.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 67' ' ' LEU . 7.2 mt -105.61 -173.24 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -103.35 159.96 15.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.53 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.8 -52.06 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.12 -60.58 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' HD13 ' A' ' 63' ' ' LEU . 45.9 p -49.28 -47.35 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -48.59 -45.63 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.5 ' HA ' ' HB2' ' A' ' 88' ' ' ALA . 9.1 t -90.32 43.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -135.16 -40.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.688 ' CB ' HD11 ' A' ' 63' ' ' LEU . 2.6 tm? -112.62 -33.81 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.78 24.33 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -94.69 -48.25 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.93 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.654 HG23 ' HB2' ' A' ' 101' ' ' GLU . 71.6 mt -86.42 147.43 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.43 -87.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.93 25.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -124.88 -35.58 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.654 ' HB2' HG23 ' A' ' 97' ' ' ILE . 27.4 mt-10 -91.72 -45.22 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.604 ' CE1' HD23 ' A' ' 50' ' ' LEU . 5.5 t80 -49.59 -32.94 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.97 -62.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.26 -25.3 22.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.42 -26.92 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 t -113.65 -68.99 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -29.43 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.798 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.783 0.325 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.58 -55.49 15.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.82 -22.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -94.19 -169.45 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -107.62 111.9 62.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.62 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -105.84 21.67 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.91 -35.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 70' ' ' PHE . 15.3 mt -61.78 -30.93 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.56 -35.19 75.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.62 -17.38 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.83 -36.85 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' CD2' HD22 ' A' ' 67' ' ' LEU . 48.7 mt -59.46 -26.97 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -52.16 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.87 -41.31 70.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.2 22.67 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -57.01 -30.63 64.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -54.57 161.16 2.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.529 0.681 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.72 138.74 38.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 53.21 27.95 6.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -109.54 -24.63 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CE2' HD21 ' A' ' 67' ' ' LEU . 15.5 t80 -95.74 88.03 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -95.5 159.47 32.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.83 6.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -91.34 36.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -135.5 -40.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.801 ' HA ' HD12 ' A' ' 32' ' ' ILE . 5.5 p90 -83.45 -20.64 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -51.52 -32.56 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -83.61 -28.43 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 29' ' ' PHE . 10.7 mt -78.86 -65.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -51.85 -58.09 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.86 42.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.78 ' HG2' HD11 ' A' ' 6' ' ' LEU . 3.0 mtm -95.94 -30.4 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -53.34 -32.96 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -65.22 -27.89 68.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -174.99 54.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.403 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 p 52.89 26.09 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 t -126.03 -8.09 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -135.8 -5.58 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 40' ' ' SER . 6.7 mt -64.13 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -51.41 -46.3 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.73 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.7 mp -85.19 -21.75 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.3 p90 37.96 42.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.687 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -144.48 15.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.07 8.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.64 HD22 ' OE1' ' A' ' 103' ' ' GLN . 9.8 mt -130.82 -68.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.36 107.24 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -73.35 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -44.35 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 51.76 30.11 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -121.05 -32.92 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.79 -75.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -170.84 165.86 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.53 152.38 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -150.35 166.64 29.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.15 -23.2 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.59 -6.57 49.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -122.34 25.72 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 85' ' ' PHE . 58.0 mt -113.87 -46.42 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -63.15 -9.5 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -107.69 33.59 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.01 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 15' ' ' LEU . 16.5 mt -51.8 -25.67 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.66 -25.57 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -86.72 -72.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.482 ' CE1' HD13 ' A' ' 11' ' ' ILE . 83.8 m-85 -56.88 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.01 169.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t -57.3 -50.76 71.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.68 58.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.0 174.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -120.3 -73.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.12 113.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 64' ' ' LYS . 1.5 mt -54.78 178.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.8 p -75.49 -173.21 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.97 -1.36 56.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -108.53 -45.78 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 84' ' ' THR . 9.7 mm-40 -52.64 -49.41 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 p -71.88 -36.81 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 53.3 tptt -60.98 -19.06 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 81' ' ' GLU . 15.4 t -110.26 27.69 9.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.521 ' HB2' HD13 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -105.85 -47.57 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.657 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -115.85 -22.65 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -81.56 -30.01 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.14 99.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.81 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 pttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.727 0.298 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.522 HG22 ' H ' ' A' ' 99' ' ' ALA . 44.3 mm -82.8 146.01 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.71 37.83 3.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.522 ' H ' HG22 ' A' ' 97' ' ' ILE . . . 53.8 27.41 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.08 -37.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -70.56 -62.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -51.2 -55.95 15.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.64 ' OE1' HD22 ' A' ' 50' ' ' LEU . 3.7 mp0 -51.92 -50.13 61.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.7 -48.82 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -52.02 -26.58 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.04 -65.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -53.44 -28.49 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.818 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 11' ' ' ILE . 66.4 p . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.801 0.334 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -77.26 -55.37 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.692 HG21 HD11 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -57.42 -23.6 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.445 HD21 ' C ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -121.14 -168.98 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -95.96 118.25 65.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -16.06 37.29 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -93.98 19.83 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -130.16 -35.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.738 HD13 HG22 ' A' ' 3' ' ' THR . 12.0 mt -69.81 -24.91 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.93 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.1 62.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.6 -45.37 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 71' ' ' GLU . 34.5 mt -54.28 -24.55 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -92.74 -40.96 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.98 -5.85 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 p -119.18 13.23 12.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.57 -13.63 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -82.18 159.42 65.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.71 148.03 64.48 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.11 34.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -116.31 -19.06 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CD2' HD21 ' A' ' 67' ' ' LEU . 37.1 t80 -95.52 144.02 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.31 160.05 20.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.657 0.741 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.72 10.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -94.19 28.92 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.76 -40.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.723 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.0 p90 -88.01 -20.36 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -51.4 -30.34 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.12 -29.71 20.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.9 mt -75.23 -63.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.4 m -58.38 -44.13 88.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 113.88 45.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -95.09 -24.94 16.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.54 -33.51 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HG3' ' HE3' ' A' ' 38' ' ' LYS . 6.9 ptpt -66.59 -27.89 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.561 ' CB ' HD21 ' A' ' 43' ' ' LEU . 4.7 mmpt? -52.26 172.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -148.65 46.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p 56.52 21.37 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -121.15 -6.82 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -131.66 -2.12 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 103' ' ' GLN . 4.0 mt -70.98 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -9.79 58.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.43 -44.07 62.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.701 HG22 ' HB2' ' A' ' 48' ' ' ARG . 3.4 mp -83.58 -21.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ILE . 34.8 p90 38.16 40.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.701 ' HB2' HG22 ' A' ' 46' ' ' ILE . 19.4 mtm180 -140.28 10.94 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -125.74 -3.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -116.08 -66.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 121.24 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -83.76 2.07 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -106.49 -28.87 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 51.73 42.33 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -93.1 -61.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.06 -44.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -120.72 -176.22 3.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.6 mt -141.45 154.09 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.94 165.44 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.76 -21.21 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.17 -3.84 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.76 21.81 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 86' ' ' LEU . 54.8 mt -109.08 -35.34 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.61 166.62 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 65.19 14.81 9.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.47 -53.05 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD21 ' CD2' ' A' ' 24' ' ' PHE . 40.2 mt -55.44 -24.78 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.709 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 3.9 tt0 -72.24 -23.75 61.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.79 -46.32 89.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 15' ' ' LEU . 84.5 m-85 -95.81 -36.97 10.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.711 ' HB2' HD13 ' A' ' 15' ' ' LEU . 14.9 tt0 -88.34 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -93.55 17.35 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.81 4.72 3.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -79.37 173.48 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.54 -73.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 77' ' ' LEU . 3.2 t -143.38 160.7 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' VAL . 1.8 mt -104.77 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.5 p -105.2 -172.9 2.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 9.78 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.1 p -113.16 -51.16 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.84 -33.03 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.6 p -83.11 -49.11 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 19.1 ttpp -51.77 -23.6 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -98.98 33.13 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.06 -40.01 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.3 pp -116.29 -23.53 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -85.09 2.94 41.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.88 -10.27 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.748 0.308 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.96 148.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.93 53.51 0.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.76 37.63 17.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -150.91 -52.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.03 -55.02 35.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.32 -55.59 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.707 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.9 mp0 -52.25 -34.0 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -79.51 -30.12 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.06 -49.74 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.2 t -57.63 -52.76 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -50.8 -31.62 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.783 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.818 HG21 ' HA ' ' A' ' 8' ' ' PRO . 58.9 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.64 -54.34 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.62 ' CG2' HD11 ' A' ' 46' ' ' ILE . 1.1 tp -80.74 -25.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.83 -174.77 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -107.51 141.13 22.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.688 0.756 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.818 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.6 Cg_endo -69.84 -13.78 34.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -87.67 11.13 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -117.33 -48.45 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.621 HD13 HG22 ' A' ' 3' ' ' THR . 4.3 mp -61.52 -26.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.87 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -22.88 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.69 -46.44 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.831 HD13 ' HB2' ' A' ' 71' ' ' GLU . 39.7 mt -53.73 -27.28 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.86 -21.9 19.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -98.86 20.56 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.2 p -145.76 20.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.74 -14.52 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -83.86 157.48 63.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.2 Cg_endo -69.73 142.76 48.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 55.89 25.18 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 t -110.57 -21.85 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.736 ' CE2' HD21 ' A' ' 67' ' ' LEU . 19.1 t80 -95.62 143.61 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -166.46 160.72 12.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -36.74 10.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -92.72 35.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -135.17 -40.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.5 p90 -88.03 -19.5 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -51.26 -32.1 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -87.01 -32.26 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.9 mt -70.11 -61.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.5 p -59.32 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.09 23.42 1.78 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.7 mtm -72.37 -21.64 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -54.19 -32.82 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.81 -26.75 68.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.57 179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -166.26 44.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t 59.71 26.58 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.13 -0.4 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.627 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -134.42 -24.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' A' ' 103' ' ' GLN . 10.1 mt -53.38 -26.13 18.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -20.08 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.04 -45.42 92.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.651 HG22 ' HB2' ' A' ' 48' ' ' ARG . 2.9 mp -85.56 -26.41 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.8 p90 37.9 42.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.651 ' HB2' HG22 ' A' ' 46' ' ' ILE . 11.1 mtm180 -142.53 13.53 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.52 -5.06 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -118.21 -64.09 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -129.74 171.41 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -121.94 -53.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -65.39 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 49.49 37.23 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.1 t -96.37 -7.86 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.94 -74.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -123.38 165.31 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 59' ' ' GLU . 10.3 mt -91.18 159.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 58' ' ' ILE . 7.9 tp10 -144.08 160.16 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.74 -22.97 49.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.54 -7.35 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -120.32 25.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' A' ' 86' ' ' LEU . 43.7 mt -118.57 -34.95 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -59.1 -60.04 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -76.3 46.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HD1' HD23 ' A' ' 67' ' ' LEU . 36.6 t80 -92.18 -64.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.736 HD21 ' CE2' ' A' ' 24' ' ' PHE . 20.7 mt -56.22 -22.32 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -19.1 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -85.18 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.492 ' CG ' HG21 ' A' ' 11' ' ' ILE . 48.0 m-85 -52.71 -70.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.831 ' HB2' HD13 ' A' ' 15' ' ' LEU . 76.1 tt0 -49.77 -36.88 27.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 62.37 16.58 8.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.49 14.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.14 178.5 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.569 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.27 -61.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -164.16 155.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 67' ' ' LEU . 16.1 mt -104.96 -174.86 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.1 p -104.85 161.8 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -13.05 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -51.74 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.95 -60.68 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.463 ' O ' HD13 ' A' ' 63' ' ' LEU . 57.4 p -51.46 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 3.9 tmtt? -46.84 -45.19 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -90.35 44.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HB3' HD13 ' A' ' 63' ' ' LEU . 2.3 t80 -122.07 -40.3 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 63' ' ' LEU . 4.0 pp -120.6 -21.54 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.667 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -79.75 -28.45 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.45 -12.26 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.816 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -60.87 -75.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 102' ' ' PHE . 73.5 mt -87.26 145.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.62 65.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.61 49.81 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.709 0.29 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.05 -37.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.816 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 50.2 mm-40 -86.64 -50.0 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.518 ' HB2' HG21 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -54.35 -37.37 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' A' ' 43' ' ' LEU . 2.5 mp0 -57.22 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -55.32 -30.54 60.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.3 ttp -64.58 -26.64 68.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -95.71 -51.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -59.23 -23.77 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.813 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.616 HG21 ' HA ' ' A' ' 8' ' ' PRO . 28.8 p . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.812 0.339 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.24 -55.36 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.675 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -81.69 -10.02 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.49 -175.56 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.61 136.75 19.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.814 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.616 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.7 Cg_endo -69.74 -16.71 37.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -95.97 27.74 3.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -129.5 -35.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.508 HG21 ' CG ' ' A' ' 70' ' ' PHE . 3.4 mp -71.8 -26.35 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.61 -33.56 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -29.18 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.28 -46.27 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.817 HD13 ' HB2' ' A' ' 71' ' ' GLU . 80.0 mt -56.83 -23.69 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -94.05 -52.86 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.94 -19.43 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 m -125.0 25.22 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.88 -23.53 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -67.55 160.27 73.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.76 135.74 31.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 t0 62.25 19.13 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -105.82 -19.11 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE2' HD21 ' A' ' 67' ' ' LEU . 26.0 t80 -96.25 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.67 158.63 29.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -36.84 10.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -92.93 32.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.96 -40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.0 p90 -82.09 -21.62 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -52.17 -32.87 38.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.03 -32.21 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 29' ' ' PHE . 14.9 mt -72.87 -60.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 m -59.22 -47.54 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.4 22.29 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mtm -71.07 -25.56 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -53.34 -33.23 52.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.15 -35.08 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -50.61 165.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -143.76 45.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.97 14.05 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -109.62 -14.2 14.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.547 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -127.55 -1.74 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -40.22 74.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -11.76 25.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.19 -45.91 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.675 HD11 ' CG2' ' A' ' 5' ' ' ILE . 1.7 mp -84.89 -25.22 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.1 p90 38.4 40.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.86 2.52 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.474 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -115.19 -10.13 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' CE1' ' A' ' 102' ' ' PHE . 5.4 mt -98.38 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' CG ' HG23 ' A' ' 58' ' ' ILE . 9.8 t0 -144.69 -176.3 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -126.35 3.38 7.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.35 -52.91 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.76 41.88 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 t -108.79 -16.06 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.93 -78.14 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -123.99 163.97 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG23 ' CG ' ' A' ' 51' ' ' ASP . 19.7 mt -93.07 154.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -139.57 160.75 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.04 -23.01 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -77.83 -4.3 45.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -124.34 25.64 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.68 HD11 ' HG ' ' A' ' 86' ' ' LEU . 53.1 mt -109.9 -46.47 3.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 77' ' ' LEU . 24.8 mtmt -59.5 165.27 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.72 ' CE2' HG22 ' A' ' 76' ' ' VAL . 8.8 m-85 56.02 24.61 7.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.544 ' HD1' HD23 ' A' ' 67' ' ' LEU . 34.9 t80 -83.02 -49.7 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.544 HD23 ' HD1' ' A' ' 66' ' ' PHE . 15.1 mt -51.8 -30.33 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -56.09 -26.04 48.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -58.85 -60.54 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.695 ' HB2' HD11 ' A' ' 15' ' ' LEU . 45.6 m-85 -84.96 -57.49 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.817 ' HB2' HD13 ' A' ' 15' ' ' LEU . 62.7 tt0 -48.77 -43.65 38.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 t 61.86 17.48 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.23 -36.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.11 176.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.82 -67.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.72 HG22 ' CE2' ' A' ' 65' ' ' TYR . 3.1 t -137.0 161.01 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 64' ' ' LYS . 1.6 mt -103.56 -176.35 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.6 p -105.05 -176.76 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.45 4.01 33.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -105.4 -57.59 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 84' ' ' THR . 25.6 mt-10 -53.68 -46.67 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' HD13 ' A' ' 63' ' ' LEU . 25.2 p -70.83 -46.27 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 17.8 tptm -54.89 -23.22 17.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 81' ' ' GLU . 12.7 t -105.41 25.51 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.97 -39.65 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 87' ' ' ALA . 2.3 pp -115.87 -19.81 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.705 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -84.97 -15.95 42.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.62 93.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.85 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 86' ' ' LEU . 35.4 mt -79.7 145.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.72 -91.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.12 12.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.03 -11.99 7.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -109.32 -27.58 9.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CE1' HD23 ' A' ' 50' ' ' LEU . 7.7 t80 -72.56 -37.09 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.66 -35.42 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -76.22 -12.65 60.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.1 ttp -87.34 -26.51 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.54 -60.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.72 -42.12 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.818 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.401 HG22 HD13 ' A' ' 11' ' ' ILE . 14.1 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.77 0.319 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.83 -75.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.591 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -61.96 -24.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.762 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -93.11 -170.1 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -106.35 118.17 55.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.731 0.777 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -22.96 31.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -95.48 29.04 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -140.46 -46.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.788 HG21 ' CD1' ' A' ' 70' ' ' PHE . 13.7 mt -55.51 -25.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.97 -25.5 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.11 -16.21 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.95 -36.82 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.707 ' CD2' HD22 ' A' ' 67' ' ' LEU . 44.5 mt -59.73 -29.44 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -93.54 -22.66 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.12 20.01 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.35 18.43 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -61.3 -18.9 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -74.92 158.45 84.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.74 142.83 49.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.45 33.52 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -102.62 -19.87 14.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' A' ' 67' ' ' LEU . 5.7 t80 -95.46 127.05 41.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -142.59 160.26 54.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -37.87 8.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -93.31 33.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -132.16 -40.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.759 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.5 p90 -88.58 -17.24 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HB2' HG13 ' A' ' 106' ' ' VAL . 8.1 p90 -51.35 -32.48 25.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -86.81 -31.4 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.2 mt -71.92 -67.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.422 ' HB2' HD22 ' A' ' 6' ' ' LEU . 90.8 p -53.25 -54.23 39.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.54 44.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.762 ' HG2' HD11 ' A' ' 6' ' ' LEU . 11.7 mtm -97.64 -27.26 14.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -32.97 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG3' ' HE3' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -66.42 -28.56 68.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CB ' HD21 ' A' ' 43' ' ' LEU . 3.4 mmpt? -50.05 168.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -153.1 49.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.402 ' HG ' ' HB3' ' A' ' 103' ' ' GLN . 0.5 OUTLIER 54.52 24.7 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.11 -8.86 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.478 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.38 -8.67 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.738 HD12 ' HG3' ' A' ' 103' ' ' GLN . 2.7 mt -61.9 -68.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -9.31 58.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.8 -46.41 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.3 mp -85.85 -21.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 p90 39.47 38.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.19 1.75 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.3 pt -113.88 -40.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -151.29 132.35 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.04 18.79 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -107.67 -37.06 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 55.61 23.27 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -83.26 -26.99 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.63 -49.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.7 -176.79 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.709 HD12 HG13 ' A' ' 97' ' ' ILE . 24.8 mt -127.96 153.84 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.74 167.88 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -58.76 -20.41 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -76.36 -5.61 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -117.82 15.74 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 86' ' ' LEU . 18.3 mt -110.21 -22.09 11.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.707 ' HG2' HG21 ' A' ' 82' ' ' THR . 22.6 mttm -83.19 -0.28 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.33 45.93 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.619 ' HD1' HD23 ' A' ' 67' ' ' LEU . 38.2 t80 -90.28 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.707 HD22 ' CD2' ' A' ' 15' ' ' LEU . 19.3 mt -54.39 -25.33 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -19.32 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -85.07 -58.18 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.788 ' CD1' HG21 ' A' ' 11' ' ' ILE . 94.0 m-85 -71.56 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.55 -40.81 72.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 16.26 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.19 -33.08 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.71 173.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.57 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.69 -37.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -165.38 161.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -106.26 175.01 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.0 p -75.93 170.36 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.65 -9.76 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.448 ' O ' HG22 ' A' ' 84' ' ' THR . 13.8 m -95.1 -55.32 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.79 -46.89 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.707 HG21 ' HG2' ' A' ' 64' ' ' LYS . 40.8 p -69.55 -47.37 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 35.0 ttpt -48.32 -45.1 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 80' ' ' SER . 8.8 t -92.95 39.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.605 ' CD1' HD22 ' A' ' 63' ' ' LEU . 7.2 t80 -124.52 -40.05 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' A' ' 63' ' ' LEU . 2.4 tm? -112.32 -29.58 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -77.0 -3.17 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.68 -41.53 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -93.63 20.17 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.5 p30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 pttt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.709 HG13 HD12 ' A' ' 58' ' ' ILE . 41.7 mm -55.53 148.68 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.62 48.93 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 52.91 28.16 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -140.57 -37.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.698 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 35.6 mm-40 -70.76 -63.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -50.3 -49.27 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.738 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.1 mp0 -51.52 -39.62 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -77.96 -26.11 48.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.6 ttp -68.78 -46.0 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG13 ' HB2' ' A' ' 30' ' ' PHE . 47.3 t -79.47 -56.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.07 -22.39 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.54 HG22 HD13 ' A' ' 11' ' ' ILE . 42.9 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -76.15 -74.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.716 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -60.48 -25.15 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.688 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -99.37 168.32 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.688 ' H ' HD13 ' A' ' 6' ' ' LEU . 34.5 t -87.27 121.06 71.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.679 0.752 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.16 27.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.32 22.45 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -126.83 -31.96 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.816 HG21 ' CD1' ' A' ' 70' ' ' PHE . 5.1 mt -66.97 -30.15 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 -34.53 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 -26.31 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -86.85 -45.82 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 ' HB2' ' A' ' 71' ' ' GLU . 82.6 mt -55.41 -24.86 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -91.12 -54.72 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.49 -17.99 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 m -122.0 43.67 2.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -88.39 13.98 10.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -110.49 161.41 24.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.554 0.692 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.73 134.88 29.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.333 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.1 22.8 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -116.42 -18.39 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.756 ' CE2' HD21 ' A' ' 67' ' ' LEU . 57.1 t80 -106.07 127.2 53.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.02 160.05 32.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.686 0.755 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.08 30.14 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -98.03 23.08 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -129.24 -39.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.734 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.7 p90 -84.9 -10.49 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -53.87 -28.11 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -95.58 -28.71 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.8 mt -71.91 -47.83 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.653 ' OG ' HD11 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -76.32 -41.23 49.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.18 22.82 3.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -77.27 -15.51 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -53.38 -33.12 52.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -66.68 -30.07 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' CB ' HD21 ' A' ' 43' ' ' LEU . 1.7 mmpt? -51.83 171.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 p -153.43 41.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 2.8 p 59.78 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -119.96 -11.87 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -121.93 -19.41 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 103' ' ' GLN . 2.7 mt -49.79 -39.32 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -18.92 25.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -50.87 -45.26 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.716 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.0 mp -83.11 -17.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.6 p90 38.31 41.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.444 ' HB2' HG22 ' A' ' 46' ' ' ILE . 14.8 mtt180 -147.52 17.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.452 HD11 ' CA ' ' A' ' 43' ' ' LEU . 30.0 pt -118.93 -24.56 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -91.79 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -135.28 -170.7 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -133.02 9.25 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.84 -32.77 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 52.78 34.33 16.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -84.29 -21.8 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.43 -61.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -122.86 -168.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.0 mt -128.45 152.2 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -133.11 164.84 26.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -58.91 -21.69 58.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.62 -8.37 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -115.83 19.01 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.688 HD21 HD23 ' A' ' 86' ' ' LEU . 18.0 mt -116.63 -51.28 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -47.93 -39.37 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.21 47.77 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -93.69 -55.56 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.776 ' CD1' HD21 ' A' ' 77' ' ' LEU . 24.6 mt -56.36 -21.29 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -53.54 -22.99 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -84.71 -63.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.816 ' CD1' HG21 ' A' ' 11' ' ' ILE . 43.2 m-85 -56.51 -53.55 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.755 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.1 tp10 -86.96 164.66 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -112.13 13.3 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.45 6.9 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -74.76 123.19 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -108.12 -63.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 t -146.23 150.2 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.776 HD21 ' CD1' ' A' ' 67' ' ' LEU . 8.3 mt -105.46 -173.04 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 21' ' ' PRO . 27.9 p -103.06 -178.86 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.49 -0.84 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 m -101.08 -58.45 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 84' ' ' THR . 49.6 mt-10 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.9 p -72.02 -46.35 57.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.7 ttpp -56.58 -23.87 43.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.516 ' HA ' ' HB2' ' A' ' 88' ' ' ALA . 13.2 t -100.86 26.22 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.63 -57.24 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.688 HD23 HD21 ' A' ' 63' ' ' LEU . 4.4 pp -112.15 -25.01 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.653 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -87.15 2.66 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -95.67 -39.66 9.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.632 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.41 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.3 pttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 101' ' ' GLU . 18.9 mm -83.3 154.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.6 53.89 0.61 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.82 39.97 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.758 0.313 . . . . 0.0 111.079 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -147.84 -37.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.677 ' HB2' HG23 ' A' ' 97' ' ' ILE . 8.2 mt-10 -80.05 -51.53 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.517 ' HB2' HG21 ' A' ' 97' ' ' ILE . 4.8 t80 -56.4 -35.5 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.63 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.9 mp0 -64.08 -62.1 1.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -54.47 -28.07 41.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 5.4 ttp -65.62 -27.03 68.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.4 t -93.44 -49.56 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.419 ' NE2' ' H ' ' A' ' 40' ' ' SER . 25.2 mm-40 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.692 HG22 ' CD1' ' A' ' 11' ' ' ILE . 15.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.818 0.342 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.21 -75.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -76.86 -22.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -91.95 -167.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.464 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 13.7 t -127.27 146.66 58.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.9 m -110.21 16.59 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -128.76 -35.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.692 ' CD1' HG22 ' A' ' 3' ' ' THR . 13.7 mt -69.65 -20.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.95 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 -19.64 62.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.69 -33.47 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 71' ' ' GLU . 82.7 mt -69.63 -17.98 63.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -105.84 -50.88 3.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -60.15 -19.47 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -117.6 19.44 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -24.42 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.57 160.56 59.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 147.62 63.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.2 34.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -115.85 -20.92 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.674 ' CE2' HD21 ' A' ' 67' ' ' LEU . 61.6 t80 -95.61 144.28 26.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.72 160.7 27.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.54 10.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 30.49 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -133.89 -40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.7 p90 -79.51 -19.56 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -53.57 -25.51 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -96.21 -28.32 14.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 29' ' ' PHE . 25.9 mt -71.6 -47.41 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.87 -44.47 31.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.19 25.61 2.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.413 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 7.7 mtm -77.52 -18.53 56.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p -53.2 -32.91 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -66.78 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 35' ' ' MET . 0.7 OUTLIER -54.96 177.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -168.45 64.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t 51.65 26.32 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -124.45 -9.74 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.485 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -138.95 -1.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.719 HD12 ' HG3' ' A' ' 103' ' ' GLN . 13.7 mt -64.15 -52.23 60.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -5.22 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.76 -48.36 81.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.73 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.6 mp -73.9 -33.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 58.39 31.64 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -140.37 14.73 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.0 pt -117.93 -16.2 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -105.94 -68.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -155.1 150.15 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -105.04 27.74 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -121.87 -38.21 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 51.49 32.16 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -89.44 -20.72 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.3 -62.58 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -123.29 -171.13 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 mt -128.88 156.22 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -137.22 167.45 21.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.73 -21.5 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.0 -7.18 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 86' ' ' LEU . 14.6 mt -118.55 -56.0 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -46.23 -37.02 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -105.25 46.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HD1' HD23 ' A' ' 67' ' ' LEU . 41.1 t80 -91.68 -57.34 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.674 HD21 ' CE2' ' A' ' 24' ' ' PHE . 21.2 mt -55.95 -22.34 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -16.01 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -55.7 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 11' ' ' ILE . 75.7 m-85 -76.65 -59.01 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 15' ' ' LEU . 42.3 tp10 -59.65 -40.66 88.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 63.46 16.83 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.45 -35.84 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.05 173.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -49.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 t -146.06 149.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 67' ' ' LEU . 3.7 mt -106.12 173.41 6.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.7 p -76.0 179.04 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.12 -3.79 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.668 ' O ' HG22 ' A' ' 84' ' ' THR . 4.4 m -101.55 -51.43 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -52.51 -48.05 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' HD13 ' A' ' 63' ' ' LEU . 63.0 p -71.34 -46.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 2.1 ttmp? -55.36 -42.11 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 80' ' ' SER . 12.8 t -88.73 18.05 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CD2' HD22 ' A' ' 63' ' ' LEU . 1.9 t80 -89.18 -47.77 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -115.02 -28.61 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -82.69 1.53 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.38 -39.0 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -54.28 -62.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.8 pttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.75 0.31 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.667 HG21 ' HB2' ' A' ' 102' ' ' PHE . 16.3 mm -74.25 145.51 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.66 51.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.13 43.57 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.731 0.301 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -153.43 -37.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.638 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 52.5 mm-40 -78.33 -55.55 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.667 ' HB2' HG21 ' A' ' 97' ' ' ILE . 1.8 t80 -51.85 -37.14 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.719 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.5 mp0 -64.97 -38.48 91.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.54 -19.42 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.3 ttp -73.16 -25.77 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -86.61 -36.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.07 -31.13 69.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.461 HG22 HD13 ' A' ' 11' ' ' ILE . 41.6 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.794 0.331 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -114.76 -54.54 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.35 -15.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -126.55 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 121.42 68.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.705 0.764 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -22.85 31.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -95.58 25.16 4.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.76 -34.96 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.695 HG21 ' CD1' ' A' ' 70' ' ' PHE . 9.3 mt -72.02 -27.47 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -16.37 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 29' ' ' PHE . . . -86.85 -34.72 19.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.72 HD11 ' CB ' ' A' ' 70' ' ' PHE . 72.1 mt -69.68 -21.17 63.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -94.33 -49.72 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.98 -41.3 87.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 m -104.49 29.78 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.29 -23.59 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -62.58 159.9 39.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.8 137.82 36.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.7 t0 55.36 25.8 7.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -113.23 -11.68 13.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE2' HD21 ' A' ' 67' ' ' LEU . 43.6 t80 -95.64 126.62 41.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -140.63 161.41 54.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -37.73 8.71 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -94.21 34.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -134.21 -41.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.785 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.3 p90 -83.61 -25.58 30.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.647 ' HB2' HG13 ' A' ' 106' ' ' VAL . 2.1 p90 -52.11 -30.08 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -86.95 -28.34 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.4 mt -74.95 -47.45 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 p -76.21 -54.39 6.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.63 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 127.8 46.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.618 ' HE3' HG11 ' A' ' 106' ' ' VAL . 11.4 mtm -99.13 -25.94 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -54.5 -36.03 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -27.18 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.5 mmpt? -54.71 178.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -162.27 57.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.58 25.02 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 t -122.21 -5.83 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.541 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -136.92 -5.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.735 ' HA ' HD11 ' A' ' 49' ' ' ILE . 1.8 mt -72.87 -67.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -7.93 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.45 -45.46 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.496 HD13 HD13 ' A' ' 49' ' ' ILE . 1.7 mp -85.26 -30.57 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 60.43 18.59 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -134.06 2.49 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.735 HD11 ' HA ' ' A' ' 43' ' ' LEU . 46.2 pt -102.86 -20.26 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.0 mt -93.19 -62.93 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -147.42 178.93 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -117.77 -15.4 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.02 -35.67 80.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.36 30.19 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -100.7 -18.66 16.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.52 -29.66 3.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -122.34 -175.21 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mt -139.8 152.41 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -135.53 165.28 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.76 -20.4 49.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -78.22 -3.38 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -123.32 24.1 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 86' ' ' LEU . 31.7 mt -116.44 -35.0 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' O ' HD12 ' A' ' 77' ' ' LEU . 13.4 ptpt -59.32 -47.59 84.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -78.27 45.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.485 ' HD1' HD23 ' A' ' 67' ' ' LEU . 31.3 t80 -96.25 -67.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 34.3 mt -51.8 -26.6 10.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.732 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 5.2 tt0 -50.04 -47.13 53.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -51.55 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.72 ' CB ' HD11 ' A' ' 15' ' ' LEU . 55.3 m-85 -57.63 -70.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.51 162.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 8.56 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.25 10.65 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.38 122.14 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -50.14 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 t -145.84 151.67 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.4 mt -105.42 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -76.16 170.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.05 -1.91 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.557 ' O ' HG22 ' A' ' 84' ' ' THR . 3.1 m -104.73 -54.44 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.61 -47.55 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 63' ' ' LEU . 36.5 p -70.62 -47.79 58.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 1.3 ttmp? -49.3 -43.21 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 80' ' ' SER . 12.0 t -92.87 34.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.418 ' HB3' HD13 ' A' ' 63' ' ' LEU . 1.2 t80 -109.39 -40.1 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 63' ' ' LEU . 4.0 pp -120.88 -21.63 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.673 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -76.14 -6.92 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -10.15 44.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB1' ' CB ' ' A' ' 101' ' ' GLU . . . -68.53 -75.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 pttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.721 0.296 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 86' ' ' LEU . 16.3 mm -78.66 153.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.82 29.38 10.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.33 41.24 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.82 -38.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.535 ' CB ' ' HB1' ' A' ' 89' ' ' ALA . 30.6 mp0 -72.13 -61.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -51.74 -29.59 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -74.84 -49.56 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.78 -23.76 65.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.1 ttm -65.5 -29.6 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 30' ' ' PHE . 47.5 t -94.07 -47.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -49.71 -39.76 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.49 -76.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.565 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -58.75 -23.55 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 7' ' ' SER . 0.5 OUTLIER -100.83 167.15 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.728 ' N ' HD13 ' A' ' 6' ' ' LEU . 2.6 m -83.89 122.39 76.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -35.31 12.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 p -91.8 23.72 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.72 -30.73 3.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 6' ' ' LEU . 5.4 mt -67.4 -31.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.23 -18.25 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.84 -35.81 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 71' ' ' GLU . 56.2 mt -58.36 -29.77 66.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -98.06 -53.26 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.62 -41.21 69.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 m -101.99 25.58 8.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.85 -26.02 68.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -60.92 160.46 20.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.74 134.35 27.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.26 21.64 12.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -106.54 -23.85 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' A' ' 67' ' ' LEU . 50.1 t80 -98.06 152.87 18.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -170.44 159.76 6.12 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -36.96 9.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.14 30.51 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -133.24 -39.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.766 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.3 p90 -84.98 -14.67 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -52.88 -28.37 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.06 -30.93 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 29' ' ' PHE . 10.1 mt -74.56 -59.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.656 ' OG ' HD11 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -59.04 -41.94 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.83 29.61 2.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.1 mtm -83.25 -17.71 41.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.4 p -54.07 -33.24 57.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -65.93 -26.86 67.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -178.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 t -166.93 40.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 m 62.37 18.49 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -118.69 -6.25 10.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.15 -17.19 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.744 HD12 ' HG3' ' A' ' 103' ' ' GLN . 15.3 mt -54.66 -40.96 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 5.2 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -84.16 -30.66 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.565 HD11 ' CG2' ' A' ' 5' ' ' ILE . 1.6 mp -89.16 -31.91 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 t80 49.19 34.46 6.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HB2' HG22 ' A' ' 46' ' ' ILE . 10.2 mtm-85 -149.93 18.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.458 HD13 HD13 ' A' ' 46' ' ' ILE . 23.6 pt -122.53 -27.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.59 -67.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.64 ' OD2' HG23 ' A' ' 58' ' ' ILE . 40.8 t0 -173.6 165.59 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.85 -2.63 34.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.77 26.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -23.36 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 t -60.24 -19.37 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.56 -61.09 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -177.52 -168.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.64 HG23 ' OD2' ' A' ' 51' ' ' ASP . 7.9 mt -127.38 156.51 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -140.91 169.51 17.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -58.86 -23.17 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.8 -8.85 57.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -113.13 16.28 19.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.733 HD11 ' CB ' ' A' ' 86' ' ' LEU . 13.6 mt -113.19 -21.04 11.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.649 ' HG2' HG21 ' A' ' 82' ' ' THR . 48.7 mttt -83.75 4.42 28.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -132.75 53.69 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HD1' HD23 ' A' ' 67' ' ' LEU . 43.5 t80 -97.62 -58.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' HD1' ' A' ' 66' ' ' PHE . 25.3 mt -52.61 -27.91 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -45.36 84.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -49.72 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.51 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.645 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.4 tp10 -71.22 123.6 22.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -92.06 18.68 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -131.39 6.14 5.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.26 174.0 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.84 -72.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 77' ' ' LEU . 3.4 t -144.64 160.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -105.29 -176.61 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.8 p -104.91 163.23 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.61 -16.07 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -51.58 9.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.74 -56.01 24.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.649 HG21 ' HG2' ' A' ' 64' ' ' LYS . 41.1 p -53.65 -47.51 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -47.77 -45.05 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -90.17 44.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.587 ' CD1' HD22 ' A' ' 63' ' ' LEU . 6.0 t80 -136.5 -40.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.733 ' CB ' HD11 ' A' ' 63' ' ' LEU . 2.5 tm? -113.31 -34.01 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 18.71 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.12 -36.84 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -48.99 -69.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.623 HG23 ' HB2' ' A' ' 101' ' ' GLU . 20.0 mm -87.45 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.3 54.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.51 35.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.12 -37.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.623 ' HB2' HG23 ' A' ' 97' ' ' ILE . 59.8 mt-10 -74.47 -61.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' A' ' 97' ' ' ILE . 5.4 t80 -56.68 -24.37 48.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.744 ' HG3' HD12 ' A' ' 43' ' ' LEU . 1.3 mp0 -68.77 -49.52 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.68 -21.65 65.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.05 -51.48 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.42 -53.44 46.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -57.4 -33.94 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.785 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.467 HG21 ' HB3' ' A' ' 8' ' ' PRO . 33.8 p . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.775 0.321 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -77.56 -55.39 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.63 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -73.91 -16.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.04 -170.1 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.39 122.55 34.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HB3' HG21 ' A' ' 3' ' ' THR . 53.5 Cg_endo -69.73 -11.99 32.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -90.22 15.54 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.29 -34.5 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 70' ' ' PHE . 7.4 mt -67.15 -28.06 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.52 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -25.89 67.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.37 -46.11 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.826 HD11 ' HB2' ' A' ' 70' ' ' PHE . 83.8 mt -55.84 -24.92 39.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -91.76 -56.23 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.35 -41.36 69.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 m -99.15 20.93 12.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.54 -26.04 41.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.07 161.09 51.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.77 148.72 65.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.93 32.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -117.68 -21.76 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 67' ' ' LEU . 26.0 t80 -95.44 145.57 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -160.66 154.02 18.45 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.676 0.751 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -24.6 29.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.51 27.86 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -134.68 -40.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.5 p90 -85.83 -10.28 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.514 ' HB2' HG13 ' A' ' 106' ' ' VAL . 14.4 p90 -55.42 -32.49 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.92 -25.12 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 29' ' ' PHE . 15.9 mt -79.01 -63.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -55.52 -58.86 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.5 41.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.581 ' HB3' HG11 ' A' ' 106' ' ' VAL . 27.0 mtm -94.6 -25.71 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 p -54.17 -33.01 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -66.78 -27.21 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 7.5 mmpt? -50.61 171.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -148.6 34.22 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t 65.79 12.63 8.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -111.31 -10.72 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.528 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.2 mp0 -117.49 -26.96 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 103' ' ' GLN . 8.8 mt -49.45 -39.97 35.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -12.62 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 17.3 tp10 -57.39 -46.11 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.63 HD11 HG21 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -86.38 -23.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ILE . 30.4 p90 37.02 46.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HG2' HG22 ' A' ' 46' ' ' ILE . 5.1 ptp180 -146.87 10.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -124.89 -3.69 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 102' ' ' PHE . 3.1 mt -115.3 -66.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -146.68 139.79 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -104.32 20.06 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -106.52 -46.01 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 55.25 25.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -87.58 -25.97 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.02 -61.72 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -123.01 -169.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.484 HD11 ' OD2' ' A' ' 51' ' ' ASP . 14.8 mt -128.73 153.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.09 164.43 27.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.94 -21.93 59.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.07 -5.62 52.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -116.96 16.32 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 HD23 ' A' ' 86' ' ' LEU . 27.6 mt -108.4 -47.11 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.546 ' HG3' HG21 ' A' ' 82' ' ' THR . 9.7 mtpt -57.37 167.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 60.05 22.0 11.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HD1' HD23 ' A' ' 67' ' ' LEU . 38.2 t80 -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.538 HD23 ' HD1' ' A' ' 66' ' ' PHE . 17.0 mt -50.98 -29.8 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.597 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 1.2 tt0 -52.11 -28.84 19.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -63.14 -70.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.826 ' HB2' HD11 ' A' ' 15' ' ' LEU . 61.6 m-85 -66.85 -54.8 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -47.58 162.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -66.14 -45.46 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.19 59.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -59.76 -177.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 -71.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -146.76 163.88 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -103.91 -175.54 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.7 p -105.47 -179.81 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.05 2.85 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -107.36 -47.05 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 84' ' ' THR . 5.0 mm-40 -62.9 -47.88 81.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.546 HG21 ' HG3' ' A' ' 64' ' ' LYS . 33.3 p -72.16 -36.29 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.742 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 23.8 ttpp -59.03 -23.47 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 81' ' ' GLU . 12.8 t -104.44 31.3 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.27 -47.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.784 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -117.48 -22.94 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -82.42 -18.98 39.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.03 13.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.58 -42.72 62.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.763 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 101' ' ' GLU . 19.2 mm -76.74 155.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.16 55.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.94 28.28 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -136.63 -37.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 97' ' ' ILE . 20.8 mm-40 -75.91 -57.72 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CD1' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -52.75 -37.17 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.657 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.3 mp0 -73.78 -60.21 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -52.14 -29.19 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.56 ' CE ' ' HB2' ' A' ' 89' ' ' ALA . 30.8 ttm -65.39 -69.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 35' ' ' MET . 20.6 t -58.13 -36.76 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -56.52 -31.75 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.79 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.733 0.301 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -75.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.658 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -67.08 -24.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.754 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -98.03 -170.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -112.66 120.09 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.729 0.776 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -18.19 37.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -95.08 26.37 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.27 -35.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 70' ' ' PHE . 18.9 mt -57.93 -36.04 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.85 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.26 -15.97 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.618 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -98.39 -46.68 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.677 ' CD2' HD22 ' A' ' 67' ' ' LEU . 96.2 mt -57.88 -19.66 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -99.53 -41.85 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -54.39 -45.56 72.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -117.72 38.34 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.77 -16.7 59.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -73.13 159.77 84.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.71 137.05 34.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.24 19.58 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 t -108.98 -21.79 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -95.33 144.18 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -155.28 160.27 31.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.59 7.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -92.23 34.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -138.41 -40.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.0 p90 -83.88 -14.7 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.493 ' HB2' HG13 ' A' ' 106' ' ' VAL . 12.1 p90 -54.16 -27.51 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -89.62 -29.95 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 29' ' ' PHE . 6.8 mt -79.08 -65.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.44 ' OG ' HD22 ' A' ' 6' ' ' LEU . 33.2 t -51.47 -38.24 52.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 44.61 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.754 ' HG2' HD11 ' A' ' 6' ' ' LEU . 9.5 mtm -99.32 -18.41 17.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -54.16 -33.03 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -66.14 -26.68 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -56.2 -177.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -166.04 41.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p 61.43 18.83 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -120.01 -6.17 10.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.12 -15.81 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.688 ' O ' HD11 ' A' ' 49' ' ' ILE . 6.3 mt -59.68 -58.96 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -16.26 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 22.5 tp10 -50.29 -46.97 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 5' ' ' ILE . 3.5 mp -83.76 -21.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 36.6 p90 38.99 38.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HB2' HG22 ' A' ' 46' ' ' ILE . 7.6 mmm180 -140.55 13.81 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.706 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -132.44 4.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.7 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -139.16 103.88 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.63 -15.5 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -81.79 -40.38 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 53.66 27.52 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -77.1 -25.29 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.16 -16.44 1.02 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -163.43 -168.4 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.572 HD12 HG13 ' A' ' 97' ' ' ILE . 20.4 mt -128.47 154.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -137.0 165.36 26.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -57.71 -20.98 38.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.07 -4.57 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -124.95 25.7 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.726 HD21 HD23 ' A' ' 86' ' ' LEU . 38.6 mt -117.1 -26.47 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -83.69 3.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -121.22 44.36 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -91.67 -70.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 15' ' ' LEU . 21.0 mt -53.87 -24.63 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.608 ' N ' ' HB3' ' A' ' 74' ' ' ALA . 2.1 tt0 -50.06 -26.63 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -84.76 -70.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.4 ' CD1' HG21 ' A' ' 11' ' ' ILE . 85.4 m-85 -50.24 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -57.86 -30.93 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 t 65.3 14.11 9.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.1 19.79 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HB3' ' N ' ' A' ' 68' ' ' GLN . . . -79.49 126.06 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -74.68 -81.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -149.61 117.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -53.99 175.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -175.95 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.82 -12.33 36.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.05 -46.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.05 -55.84 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 63' ' ' LEU . 60.4 p -54.87 -36.33 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 55.4 tttt -58.05 -42.72 86.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -90.69 42.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.411 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.74 -53.51 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.726 HD23 HD21 ' A' ' 63' ' ' LEU . 4.1 pp -118.85 -20.17 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.618 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -86.37 2.39 47.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.1 -10.34 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -60.94 -67.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.572 HG13 HD12 ' A' ' 58' ' ' ILE . 38.6 mm -61.51 148.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.4 50.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.527 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.6 50.8 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.26 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 24.2 mt-10 -76.23 -31.02 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.48 -35.46 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.676 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.4 mp0 -64.69 -37.92 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.49 -25.54 54.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.1 ttp -67.01 -28.57 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 30' ' ' PHE . 38.6 t -87.52 -53.76 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -52.63 -45.15 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.711 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.895 0.378 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.532 HD21 ' CD2' ' A' ' 70' ' ' PHE . 20.6 tp -64.95 -47.26 78.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.9 p -111.98 48.45 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -77.47 -73.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.736 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -55.47 -24.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -118.73 -165.12 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -120.54 141.14 31.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.676 0.751 . . . . 0.0 110.839 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -15.4 37.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p -94.58 24.56 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -128.23 -35.27 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 7' ' ' SER . 2.9 mp -71.71 -23.25 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.51 -24.95 59.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.067 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . . . -60.6 -18.66 54.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.59 -28.76 8.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.668 ' CD2' HD22 ' A' ' 67' ' ' LEU . 59.2 mt -70.41 -16.55 62.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -113.16 -22.34 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.83 -19.3 21.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 m -113.81 23.62 12.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.67 -23.87 63.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -59.43 160.79 12.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.72 133.05 24.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 t0 57.62 23.56 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 m -102.51 -25.98 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.668 ' CE2' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -95.57 127.07 41.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.31 160.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -36.02 11.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -92.8 30.94 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -134.52 -40.27 0.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.793 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.3 p90 -80.85 -19.47 44.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -54.86 -33.71 62.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -83.21 -17.33 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 29' ' ' PHE . 12.3 mt -88.86 -60.16 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 p -59.47 -66.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.725 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 155.13 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.404 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 10.7 mtm -101.51 2.71 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -79.13 -7.62 58.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -110.63 7.51 22.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -61.26 -172.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.46 ' N ' HE22 ' A' ' 42' ' ' GLN . 1.5 m -171.24 35.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m 59.93 19.22 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t -123.73 -5.28 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.564 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -123.53 -21.57 5.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 103' ' ' GLN . 20.3 mt -55.49 -70.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -20.28 57.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 2.2 tp10 -49.35 -47.66 47.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.736 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.4 mp -84.45 -22.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 p90 38.01 42.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HB2' HG22 ' A' ' 46' ' ' ILE . 8.4 mtm-85 -143.82 14.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.58 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -118.21 -19.32 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.45 -64.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.41 ' OD1' HD11 ' A' ' 58' ' ' ILE . 1.3 p-10 -156.43 149.77 24.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -95.89 38.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.23 -47.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 51.71 34.79 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 p -95.2 -21.86 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 169.24 -68.94 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -122.95 -170.03 2.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.504 HD12 ' HB ' ' A' ' 97' ' ' ILE . 19.3 mt -129.68 153.11 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -136.06 165.41 25.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -58.65 -21.41 53.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -73.43 -7.63 52.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.59 19.07 14.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.607 HD11 ' CD2' ' A' ' 86' ' ' LEU . 11.2 mt -119.91 -47.41 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -45.23 -36.68 4.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -104.67 47.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -92.26 -61.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.668 HD21 ' CE2' ' A' ' 24' ' ' PHE . 28.1 mt -51.67 -30.15 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.498 ' CA ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -52.42 -29.0 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -63.87 -73.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.532 ' CD2' HD21 ' A' ' 2' ' ' LEU . 86.9 m-85 -62.56 -55.71 24.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -49.29 162.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 t -63.09 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -169.66 64.18 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' HB3' ' CA ' ' A' ' 68' ' ' GLN . . . -54.26 174.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.073 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.548 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -119.55 -62.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -164.4 159.49 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mt -105.76 169.51 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -77.14 -171.5 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.68 7.83 39.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.544 ' O ' HG22 ' A' ' 84' ' ' THR . 0.9 OUTLIER -117.38 -53.8 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.04 -32.27 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 63' ' ' LEU . 51.7 p -86.64 -49.17 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.69 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 15.7 ttmm -56.6 -21.06 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 80' ' ' SER . 14.4 t -99.56 20.92 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.63 -41.03 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -120.23 -22.55 6.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -97.33 14.65 25.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -112.45 -36.99 5.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.545 ' HB2' ' CE ' ' A' ' 105' ' ' MET . . . -49.54 -67.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -169.66 -179.83 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -124.52 49.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -51.71 -34.47 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.33 -71.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.86 18.97 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.5 18.0 50.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -106.21 145.28 31.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.739 0.304 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.516 HG21 ' HB2' ' A' ' 102' ' ' PHE . 19.6 mm -82.32 146.89 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.78 58.84 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.486 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.78 34.46 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.88 -37.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' HB2' HD12 ' A' ' 97' ' ' ILE . 17.5 mm-40 -81.33 -51.76 8.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.516 ' HB2' HG21 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -52.05 -37.26 53.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.788 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.3 mp0 -66.46 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.6 -26.8 23.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.545 ' CE ' ' HB2' ' A' ' 89' ' ' ALA . 28.0 ttm -65.07 -49.82 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.73 -48.99 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.492 ' OE1' HD11 ' A' ' 43' ' ' LEU . 3.7 mm100 -58.31 -38.47 77.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 70' ' ' PHE . 1.8 tp -84.82 150.32 25.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.658 HG22 HD13 ' A' ' 11' ' ' ILE . 11.9 p 50.26 31.55 5.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -76.57 -74.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.772 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -67.68 -24.42 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.744 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -91.28 -169.9 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.404 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -106.83 116.34 58.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.702 0.763 . . . . 0.0 110.845 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -23.63 30.53 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -92.26 15.82 12.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.96 -35.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.793 HG21 ' CD1' ' A' ' 70' ' ' PHE . 14.9 mt -61.54 -28.2 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.47 62.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.51 -25.64 67.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -84.21 -46.3 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD13 ' HB2' ' A' ' 71' ' ' GLU . 77.3 mt -55.61 -25.66 39.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -94.38 -16.29 23.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -108.05 19.29 20.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.12 16.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -62.86 -16.52 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -79.79 157.13 74.6 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.701 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.76 144.29 53.54 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.691 2.261 . . . . 0.0 112.283 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 51.21 30.74 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -114.5 -20.63 10.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 67' ' ' LEU . 19.3 t80 -95.99 143.85 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.42 158.34 11.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.645 0.736 . . . . 0.0 110.86 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 29' ' ' PHE . 53.7 Cg_endo -69.77 -38.35 7.89 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.97 13.69 12.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -120.02 -33.13 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.798 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.2 p90 -90.35 -20.15 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -52.96 -30.8 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -85.78 -25.92 26.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 29' ' ' PHE . 21.6 mt -78.46 -48.1 23.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.421 ' HB2' HD22 ' A' ' 6' ' ' LEU . 94.7 p -76.4 -56.72 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.29 42.49 0.16 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.744 ' HG2' HD11 ' A' ' 6' ' ' LEU . 4.8 mtm -88.87 -30.76 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.0 -33.29 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -60.49 -34.15 73.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -51.28 169.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 p -144.93 46.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 p 58.49 20.41 7.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -118.73 -12.32 9.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.2 1.16 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' O ' HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -61.99 -58.91 6.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -2.05 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 10.5 tp10 -61.83 -45.57 93.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.772 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.8 mp -84.18 -23.2 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.4 p90 38.16 40.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.761 ' HB2' HG22 ' A' ' 46' ' ' ILE . 33.8 mtm-85 -140.66 11.88 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.504 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -122.7 -5.53 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -111.17 -64.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' OD1' HD11 ' A' ' 58' ' ' ILE . 1.1 p-10 -152.71 163.42 39.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -115.62 -9.06 12.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -76.43 -55.52 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 59.92 20.61 9.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.1 m -77.51 -21.67 52.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.42 -18.24 0.69 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -163.24 -171.08 2.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.449 HD11 ' OD1' ' A' ' 51' ' ' ASP . 12.7 mt -128.97 158.08 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 58' ' ' ILE . 25.0 tt0 -147.6 166.63 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -58.83 -20.37 49.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -81.38 -3.6 53.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -123.49 25.29 8.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.666 HD21 HD23 ' A' ' 86' ' ' LEU . 66.2 mt -110.3 -49.53 3.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 77' ' ' LEU . 2.2 pttm -58.71 168.32 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 25.7 m-85 58.96 27.25 16.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -82.35 -49.48 9.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.3 mt -55.57 -23.27 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -17.06 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.71 -52.75 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.793 ' CD1' HG21 ' A' ' 11' ' ' ILE . 69.3 m-85 -81.55 -63.71 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB2' HD13 ' A' ' 15' ' ' LEU . 48.1 tp10 -56.51 -39.3 73.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.3 t 63.62 15.93 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.55 -32.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.09 176.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.71 -57.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.8 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.568 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 3.9 t -142.94 157.89 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.638 HD23 ' OE1' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -104.6 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.0 p -107.6 170.25 8.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.06 -13.38 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 -55.37 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.638 ' OE1' HD23 ' A' ' 77' ' ' LEU . 42.8 mt-10 -58.51 -59.24 5.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 63' ' ' LEU . 40.2 p -51.06 -47.18 61.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 54.6 tttt -50.66 -44.92 57.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.26 41.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 63' ' ' LEU . 1.8 t80 -120.24 -47.49 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.666 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -116.96 -23.0 8.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.648 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -84.38 1.93 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.61 -37.31 13.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 105' ' ' MET . . . -98.5 -10.81 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -59.88 -171.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 61.98 18.8 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.39 -0.51 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.78 -90.52 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -132.59 20.45 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.94 16.87 53.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.39 145.34 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.785 HG23 ' HB2' ' A' ' 101' ' ' GLU . 10.2 mm -76.27 157.73 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.66 68.15 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.59 48.63 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.55 -46.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.785 ' HB2' HG23 ' A' ' 97' ' ' ILE . 7.6 mt-10 -75.16 -46.15 36.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -23.7 50.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.428 HE21 ' N ' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -75.4 -49.8 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.02 -24.92 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.718 ' HB2' ' HB2' ' A' ' 89' ' ' ALA . 10.1 ttp -65.59 -26.22 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.47 -53.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -60.18 -30.75 69.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.82 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.942 0.401 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.669 ' O ' HG21 ' A' ' 46' ' ' ILE . 9.9 tp -49.44 -51.15 37.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 8' ' ' PRO . 21.4 p -104.61 41.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -76.38 -61.51 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.683 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -64.46 -23.09 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.619 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -115.51 -168.2 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -117.52 121.12 32.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.648 ' HA ' HD12 ' A' ' 11' ' ' ILE . 53.2 Cg_endo -69.78 -8.56 23.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -84.63 5.12 29.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -123.98 -34.99 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.787 HG21 ' CD1' ' A' ' 70' ' ' PHE . 7.9 mt -62.12 -31.05 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -31.95 67.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.97 -19.97 61.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.63 -45.65 6.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.608 ' CD2' HD22 ' A' ' 67' ' ' LEU . 72.5 mt -54.28 -27.37 34.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -88.4 -57.6 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -52.27 -41.87 63.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -105.73 24.42 12.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.27 -21.94 60.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -70.59 159.76 83.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.102 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.2 Cg_endo -69.79 138.34 37.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t0 62.11 23.62 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 t -115.57 -20.03 10.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -104.04 149.32 25.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.7 m -160.59 156.85 22.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.55 10.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.29 27.01 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.57 -37.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.792 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -86.14 -11.48 52.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -51.88 -33.16 35.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -88.24 -32.02 18.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 29' ' ' PHE . 18.8 mt -70.29 -61.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 p -59.21 -51.91 67.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.619 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 127.62 31.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mtm -83.86 -18.9 35.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.7 p -52.95 -33.18 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -65.21 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HZ2' HG23 ' A' ' 5' ' ' ILE . 6.5 mmpt? -50.64 168.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 p -150.18 42.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.5 t 59.23 21.77 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.0 t -120.44 -12.25 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.605 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -122.58 -17.52 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.661 ' HA ' HD11 ' A' ' 49' ' ' ILE . 3.4 mt -52.4 -30.49 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 -21.05 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.58 -44.04 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 HG21 ' A' ' 5' ' ' ILE . 2.1 mp -82.97 -18.28 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.61 40.7 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.579 ' HB2' HG22 ' A' ' 46' ' ' ILE . 42.6 mtt180 -139.32 9.31 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 43' ' ' LEU . 28.3 pt -120.6 -24.4 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.71 -66.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' OD1' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -152.21 145.25 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -96.32 20.48 10.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.36 -44.88 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 51.0 37.26 17.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -93.59 -14.24 26.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.23 -69.53 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -123.0 -173.43 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.547 HD11 ' OD1' ' A' ' 51' ' ' ASP . 21.3 mt -129.12 154.51 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -140.41 172.47 12.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.23 -20.58 42.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -75.16 -5.28 43.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.0 21.39 11.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 85' ' ' PHE . 11.7 mt -119.75 -18.98 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.685 ' HG2' HG21 ' A' ' 82' ' ' THR . 23.1 mttm -82.79 -4.37 57.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -123.14 52.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -96.3 -63.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' A' ' 15' ' ' LEU . 20.1 mt -54.14 -24.36 17.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -55.87 -21.25 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -84.86 -71.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.787 ' CD1' HG21 ' A' ' 11' ' ' ILE . 71.7 m-85 -52.08 -70.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -51.3 -35.0 35.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 63.96 15.14 8.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.55 13.69 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -79.9 174.15 11.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.334 . . . . 0.0 111.084 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.34 -69.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 t -146.38 156.9 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.11 170.43 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.6 p -76.65 -177.14 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.28 -19.67 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 m -85.37 -52.37 5.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 84' ' ' THR . 5.1 mm-40 -50.27 -46.92 55.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.685 HG21 ' HG2' ' A' ' 64' ' ' LYS . 74.1 p -71.66 -27.47 63.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.617 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.7 tptm -70.58 -22.61 62.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 81' ' ' GLU . 9.2 t -101.55 28.56 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.626 ' HB2' HD13 ' A' ' 63' ' ' LEU . 2.0 m-85 -105.2 -58.69 1.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.2 pp -117.44 -22.93 7.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.662 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -79.89 -2.03 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.07 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.2 -39.81 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -144.84 170.67 15.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -130.76 37.64 3.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -52.33 -33.7 43.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.8 -78.48 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.81 19.8 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.461 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 90.8 20.78 38.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.505 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -75.46 113.17 12.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.687 HG23 ' HB2' ' A' ' 101' ' ' GLU . 18.3 mm -77.94 145.98 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.81 54.85 0.66 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.63 29.3 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.739 0.304 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -138.93 -37.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.687 ' HB2' HG23 ' A' ' 97' ' ' ILE . 27.1 mt-10 -71.61 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.59 -36.73 46.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.3 mp0 -71.73 -58.14 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.94 -27.45 31.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.1 ttm -64.91 -67.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -57.65 -54.14 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -57.05 -36.66 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.833 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.63 HD12 ' HD3' ' A' ' 48' ' ' ARG . 7.1 tp -67.78 -71.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.582 HG23 HD23 ' A' ' 2' ' ' LEU . 14.4 p -96.68 34.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -77.08 -64.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.438 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -70.52 -14.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 -171.06 2.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 t -104.24 131.38 21.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.743 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.09 29.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -93.72 31.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.63 -46.78 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.76 HG21 ' CD2' ' A' ' 70' ' ' PHE . 5.8 mt -59.69 -23.43 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.92 -30.99 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.84 59.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -95.74 -36.74 11.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.753 HD13 ' HB2' ' A' ' 71' ' ' GLU . 68.7 mt -60.22 -21.21 61.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -98.88 -41.65 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.72 -5.93 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.1 m -132.42 25.12 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -14.42 60.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -81.66 160.23 64.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.612 0.72 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.79 140.03 41.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.58 25.21 12.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.4 t -115.08 -21.6 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -97.87 149.55 22.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -166.71 160.03 11.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.74 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -37.2 9.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.75 33.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -137.68 -40.17 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -82.87 -16.08 48.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.445 ' HB2' HG13 ' A' ' 106' ' ' VAL . 9.1 p90 -57.94 -27.34 63.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -91.07 -31.98 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.602 ' CG2' ' HB2' ' A' ' 14' ' ' ALA . 12.1 mt -75.17 -58.06 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.2 m -58.71 -51.95 67.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.08 32.64 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -88.0 -20.58 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 p -53.85 -33.58 56.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -66.21 -28.66 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.549 ' CB ' HD21 ' A' ' 43' ' ' LEU . 5.5 mmpt? -55.12 178.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -152.64 42.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.404 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 1.4 p 61.44 17.69 8.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.08 -11.33 11.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG2' HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -124.39 -12.81 7.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 103' ' ' GLN . 5.4 mt -61.64 -50.7 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -83.2 4.04 28.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -72.08 -45.6 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 46' ' ' ILE . 4.1 mp -71.08 -39.78 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 59.02 33.63 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.63 ' HD3' HD12 ' A' ' 2' ' ' LEU . 3.5 ptm180 -139.43 6.22 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -118.39 -8.34 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.9 mt -106.34 -64.73 1.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 171.89 15.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -120.46 6.92 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -106.04 -35.69 7.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 51.93 29.56 6.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -84.96 -44.44 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.64 -51.24 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -121.78 -179.09 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.5 mt -129.51 156.3 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -134.38 164.47 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -58.71 -20.76 51.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -79.06 -4.44 50.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -122.36 24.92 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.798 HD21 HD23 ' A' ' 86' ' ' LEU . 44.2 mt -113.53 -51.2 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.697 ' HA ' HD12 ' A' ' 77' ' ' LEU . 15.7 pttp -51.44 170.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.655 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 19.6 m-85 59.54 24.34 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -77.77 -48.81 15.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.8 mt -56.21 -21.48 23.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 3.0 tt0 -72.54 -28.49 62.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -54.73 -57.72 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.76 ' CD2' HG21 ' A' ' 11' ' ' ILE . 55.1 m-85 -84.97 -49.6 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.753 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.5 tp10 -83.34 132.65 34.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -93.17 16.3 13.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.837 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -124.46 -1.41 8.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.94 173.64 12.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.756 0.312 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.2 -73.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.655 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 2.9 t -142.16 161.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 64' ' ' LYS . 7.6 mt -104.41 -174.82 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.2 p -104.45 -176.99 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.03 -0.56 35.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.032 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.98 -55.69 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 84' ' ' THR . 5.3 mm-40 -51.02 -47.37 61.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' HD13 ' A' ' 63' ' ' LEU . 68.3 p -71.73 -45.22 62.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 66.1 tttt -54.42 -23.28 15.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 81' ' ' GLU . 14.3 t -104.7 28.59 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.96 -47.67 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.798 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -115.29 -23.25 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -85.3 2.95 41.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.64 -9.88 13.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -53.52 -67.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -144.66 178.15 8.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -109.15 24.51 13.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -53.71 -41.37 66.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.96 -80.88 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.61 -12.25 9.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.78 25.21 2.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 106.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.469 HD13 ' OE1' ' A' ' 101' ' ' GLU . 28.5 mm -85.87 150.73 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.09 56.49 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.46 32.45 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.299 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -142.59 -58.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 89.3 mt-10 -56.16 -56.44 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -54.4 -50.31 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.749 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.7 mp0 -54.77 -55.19 32.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -53.63 -46.99 70.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.9 ttp -48.99 -27.76 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.445 HG13 ' HB2' ' A' ' 30' ' ' PHE . 34.5 t -85.15 -50.96 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.556 HE21 HD11 ' A' ' 43' ' ' LEU . 58.1 mm-40 -61.06 -22.62 64.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 -179.795 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.924 0.393 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.661 HD21 ' CD1' ' A' ' 70' ' ' PHE . 13.6 tp -118.22 152.69 35.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.693 HG22 HD13 ' A' ' 11' ' ' ILE . 10.4 p 50.59 40.56 24.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.41 -69.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.683 ' CG2' HD11 ' A' ' 46' ' ' ILE . 1.1 tp -62.55 -24.87 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.73 -172.77 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.8 137.87 19.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 0.0 110.803 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -13.2 34.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -93.86 22.04 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.13 -50.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.708 HG21 ' CD1' ' A' ' 70' ' ' PHE . 4.8 mt -61.8 -19.16 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.93 -26.36 56.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.88 -16.21 62.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.08 -36.31 11.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.552 ' CD2' HD22 ' A' ' 67' ' ' LEU . 55.7 mt -57.28 -28.08 62.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -90.89 -21.05 21.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.04 19.49 12.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.1 p -146.87 20.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -64.12 -22.48 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -70.33 159.79 83.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.703 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.2 Cg_endo -69.68 132.87 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.352 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.4 t0 57.23 23.44 8.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 t -97.91 -16.39 19.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -95.59 144.28 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 m -161.09 157.87 23.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.651 0.739 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.01 9.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -92.63 36.57 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -134.87 -39.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.743 ' HA ' HD12 ' A' ' 32' ' ' ILE . 6.0 p90 -86.03 -18.66 31.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' HG13 ' A' ' 106' ' ' VAL . 10.7 p90 -51.12 -31.16 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -89.21 -31.71 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 29' ' ' PHE . 24.4 mt -69.65 -62.23 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 p -59.15 -46.98 86.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.76 27.0 1.65 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.433 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.87 -18.23 56.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.734 0.302 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -32.36 54.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -64.15 -27.64 69.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -56.34 -177.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -167.02 50.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.9 m 56.12 23.36 6.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -121.55 -6.12 9.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.573 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -133.7 -9.53 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' A' ' 103' ' ' GLN . 13.4 mt -62.35 -33.82 75.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -0.45 41.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.76 -45.0 60.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.4 mp -84.0 -18.76 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.5 p90 37.9 42.44 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.586 ' HB2' HG22 ' A' ' 46' ' ' ILE . 5.2 mtt-85 -141.51 11.99 2.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.4 pt -122.7 -27.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.7 mt -91.42 -67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -144.39 175.17 10.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -133.37 28.78 4.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -129.83 -46.87 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 51.56 30.18 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t -89.42 -58.19 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -148.27 -41.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.92 168.48 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mt -90.11 162.19 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -152.46 170.04 21.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.68 -23.23 62.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.89 -10.51 58.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' ' 63' ' ' LEU . 15.6 mm-40 -117.48 27.87 8.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.972 HD21 HD21 ' A' ' 86' ' ' LEU . 20.6 mt -126.38 -45.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -60.11 -10.8 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -113.74 32.39 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -80.56 -68.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 15' ' ' LEU . 20.5 mt -55.57 -24.82 34.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -50.99 -28.0 8.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HB3' HD22 ' A' ' 2' ' ' LEU . 14.1 mmp_? -86.31 -70.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.708 ' CD1' HG21 ' A' ' 11' ' ' ILE . 83.6 m-85 -51.19 -61.19 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.52 170.07 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -62.19 -34.79 77.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.74 60.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -53.64 174.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.586 ' O ' HG13 ' A' ' 76' ' ' VAL . 1.7 ptt85 -123.2 -52.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -165.57 156.41 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.495 HD21 HD11 ' A' ' 67' ' ' LEU . 3.7 mt -105.56 170.09 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.3 p -76.9 -174.57 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.08 6.99 33.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.0 m -113.65 -54.14 2.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.77 -32.33 51.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.565 ' O ' HD13 ' A' ' 63' ' ' LEU . 50.4 p -88.93 -34.67 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -69.26 -13.08 62.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 9.3 t -102.82 24.28 10.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.81 -59.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.972 HD21 HD21 ' A' ' 63' ' ' LEU . 7.3 mt -76.26 -65.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.12 -21.9 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 84' ' ' THR . . . -51.42 -60.25 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.592 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -51.5 -75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -156.08 178.33 10.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -140.14 58.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -51.84 -30.88 25.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.31 -75.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.31 0.04 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.64 21.08 7.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.653 ' O ' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -82.21 168.3 17.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.877 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.688 HG23 ' HB2' ' A' ' 101' ' ' GLU . 23.0 mm -134.09 150.71 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.51 55.52 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.87 44.47 28.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -152.28 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.688 ' HB2' HG23 ' A' ' 97' ' ' ILE . 39.1 mt-10 -77.2 -54.62 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.428 ' HB2' HG21 ' A' ' 97' ' ' ILE . 1.1 t80 -59.69 -23.16 62.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.639 ' HG3' HD12 ' A' ' 43' ' ' LEU . 2.9 mp0 -76.26 -49.35 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -67.16 -16.11 64.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.592 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 10.3 ttp -73.71 -45.32 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 30' ' ' PHE . 45.1 t -78.94 -36.31 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -89.79 2.78 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.915 0.388 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 69' ' ' ARG . 1.9 pt? -68.33 -12.87 61.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.539 ' CG2' HD13 ' A' ' 11' ' ' ILE . 10.2 p -98.19 38.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -76.45 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.452 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -56.38 -24.55 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -116.26 -168.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.46 128.26 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.68 0.752 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -20.06 35.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -94.84 30.14 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.67 -34.96 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.58 HG21 ' CG ' ' A' ' 70' ' ' PHE . 4.2 mp -70.03 -26.85 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.38 -27.04 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 -17.7 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.621 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -107.4 -36.39 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.745 ' CD2' HD22 ' A' ' 67' ' ' LEU . 84.4 mt -55.11 -26.21 36.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -22.52 16.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -103.78 20.44 18.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 p -134.71 7.48 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.88 -21.19 56.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -67.96 160.08 76.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.1 Cg_endo -69.72 133.69 26.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 53.58 26.94 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.32 -16.61 17.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 67' ' ' LEU . 16.2 t80 -102.22 144.59 30.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 p -169.09 154.7 6.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -21.08 34.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -98.47 15.06 26.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -123.16 -40.06 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.725 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.1 p90 -81.9 -15.93 52.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -53.47 -28.07 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -94.76 -31.74 13.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 29' ' ' PHE . 16.5 mt -69.33 -47.87 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 92.9 p -75.7 -51.5 12.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 126.57 32.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.551 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtm -83.32 -23.27 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.78 -33.22 55.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -65.98 -29.46 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' CB ' HD21 ' A' ' 43' ' ' LEU . 6.7 mmpt? -52.6 174.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -153.6 40.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p 63.54 15.95 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -113.68 -10.7 13.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.502 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -127.13 -9.85 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' HG3' ' A' ' 103' ' ' GLN . 11.8 mt -64.93 -55.63 18.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.28 4.94 28.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -72.0 -45.46 60.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 42' ' ' GLN . 4.0 mp -74.64 -33.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 56.05 38.29 29.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 46' ' ' ILE . 33.2 mtm180 -147.66 16.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -135.05 4.14 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -125.92 -68.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.56 119.42 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -73.59 -56.78 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -71.79 -22.17 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 50.65 31.67 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 p -68.05 -14.1 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.09 8.11 6.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -175.49 178.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 mt -129.11 152.37 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -139.51 170.68 15.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 -57.72 -22.18 45.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.6 -4.85 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -124.24 24.52 8.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 86' ' ' LEU . 29.1 mt -115.18 -46.5 2.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -10.38 11.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.08 48.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -96.18 -63.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.745 HD22 ' CD2' ' A' ' 15' ' ' LEU . 26.0 mt -53.27 -23.74 9.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.576 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.8 OUTLIER -53.23 -23.89 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.613 ' HB3' HD13 ' A' ' 2' ' ' LEU . 11.4 mmp_? -85.41 -72.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.58 ' CG ' HG21 ' A' ' 11' ' ' ILE . 71.6 m-85 -51.93 -60.41 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -52.0 169.65 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.4 t -70.17 -32.76 70.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -178.01 58.95 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -53.62 173.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 ptt85 -126.76 -71.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -146.53 156.01 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.36 175.35 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -75.79 178.62 6.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.19 -4.17 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -103.29 -52.24 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -47.91 -46.55 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.531 ' O ' HD13 ' A' ' 63' ' ' LEU . 79.3 p -69.33 -47.27 64.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -49.84 -43.55 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 t -88.17 41.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.663 ' CD1' HD22 ' A' ' 63' ' ' LEU . 17.4 t80 -120.08 -49.63 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -117.93 -22.71 7.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.643 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -92.79 9.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.9 -37.99 8.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.683 ' HB3' HD11 ' A' ' 97' ' ' ILE . . . -50.96 -71.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.96 179.4 1.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -125.95 41.94 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.87 -30.61 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.81 -82.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -139.6 17.32 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 19.43 43.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.493 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -105.74 120.2 41.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 89' ' ' ALA . 42.2 mm -87.17 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -123.32 -92.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -153.29 21.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -121.43 -29.33 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -93.97 -45.77 7.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -50.11 -48.19 53.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.817 ' HG3' HD12 ' A' ' 43' ' ' LEU . 2.2 mp0 -49.37 -54.24 18.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.71 -48.18 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.7 ttp -49.92 -27.85 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -85.51 -49.49 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -50.88 -38.04 47.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.66 HD11 ' CD1' ' A' ' 70' ' ' PHE . 3.6 tp -78.81 149.12 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.707 HG22 ' CD1' ' A' ' 11' ' ' ILE . 3.2 p 52.27 31.89 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -77.7 -66.37 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -66.62 -25.83 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.704 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER -115.56 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.47 138.89 20.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.596 0.712 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HB3' HG21 ' A' ' 3' ' ' THR . 53.5 Cg_endo -69.79 -12.67 33.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.23 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 p -90.25 14.44 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -125.57 -34.6 2.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.779 HG21 ' CD1' ' A' ' 70' ' ' PHE . 11.9 mt -67.51 -21.05 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.9 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.78 -21.66 56.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.17 -31.5 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 70' ' ' PHE . 69.5 mt -69.57 -13.44 62.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -107.39 -41.56 5.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -75.4 -7.28 53.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.7 m -126.11 42.32 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -83.34 -24.1 32.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.31 160.08 61.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.78 138.52 37.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.2 t0 53.84 27.2 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -110.96 -17.53 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.433 ' CE2' HD21 ' A' ' 67' ' ' LEU . 46.8 t80 -97.8 150.88 20.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -171.76 159.81 4.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.35 29.76 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -95.58 31.47 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -134.64 -40.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.2 p90 -80.58 -18.59 47.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -57.77 -30.91 66.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -92.3 -31.68 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 29' ' ' PHE . 25.8 mt -72.37 -59.82 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.2 t -59.26 -55.11 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.704 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 130.23 42.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.5 mtm -98.56 -18.88 17.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.0 t -53.34 -37.09 62.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.87 -27.6 68.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -55.37 -179.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -161.76 53.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t 52.53 26.65 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -122.8 -6.07 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.487 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -134.19 -16.16 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.808 HD12 ' HG3' ' A' ' 103' ' ' GLN . 11.7 mt -54.47 -45.09 73.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.564 ' HA ' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -86.37 4.38 39.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -78.28 -45.28 23.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.502 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.0 mp -70.61 -29.31 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 54.05 30.1 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -146.13 15.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 43' ' ' LEU . 19.6 pt -120.35 -22.03 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 44' ' ' LYS . 1.3 mt -95.75 -66.7 0.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.5 153.06 24.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -102.78 54.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.08 -54.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.2 31.78 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -90.99 -47.81 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.48 -57.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -158.74 165.43 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.596 HD12 ' HB ' ' A' ' 97' ' ' ILE . 12.3 mt -90.49 157.72 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 58' ' ' ILE . 9.1 tp10 -147.53 167.52 24.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -57.81 -21.28 41.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -77.14 -4.29 43.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.24 22.76 7.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.696 HD11 ' CD2' ' A' ' 86' ' ' LEU . 58.3 mt -108.88 -46.1 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.38 -42.4 82.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -80.44 41.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' HD1' HD23 ' A' ' 67' ' ' LEU . 46.5 t80 -90.86 -62.26 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD23 ' HD1' ' A' ' 66' ' ' PHE . 20.8 mt -50.93 -29.29 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -46.17 63.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -50.64 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.779 ' CD1' HG21 ' A' ' 11' ' ' ILE . 61.9 m-85 -61.85 -69.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.559 ' HB2' HD13 ' A' ' 15' ' ' LEU . 11.1 tt0 -67.29 125.94 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 m -94.79 23.41 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.29 7.76 3.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.25 173.02 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -138.92 -75.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -145.35 111.84 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.3 mt -53.57 174.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.0 p -76.22 -178.4 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.65 -5.44 55.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.5 -45.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -53.36 -55.54 24.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 63' ' ' LEU . 73.1 p -54.7 -48.22 72.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 20.7 tptm -50.05 -44.15 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -88.67 42.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' CD1' HD22 ' A' ' 63' ' ' LEU . 19.6 t80 -120.73 -48.15 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 63' ' ' LEU . 4.0 pp -116.57 -20.82 9.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.657 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -89.46 -28.21 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.45 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.96 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.02 -178.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -134.71 68.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.15 -40.66 98.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.93 -61.49 0.29 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -147.88 26.17 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 74.28 22.17 77.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -106.21 131.92 52.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.596 ' HB ' HD12 ' A' ' 58' ' ' ILE . 23.7 mm -87.55 145.88 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.34 63.0 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.23 44.21 28.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -149.29 -63.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' HB2' HD12 ' A' ' 97' ' ' ILE . 78.2 mm-40 -57.38 -53.83 53.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.444 ' HB2' HG21 ' A' ' 97' ' ' ILE . 7.5 t80 -53.41 -47.81 69.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.808 ' HG3' HD12 ' A' ' 43' ' ' LEU . 1.8 mp0 -45.12 -39.4 5.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.79 -47.27 54.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.7 ttp -50.95 -27.28 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.0 t -80.26 -49.95 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -55.46 -26.52 42.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.808 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 70' ' ' PHE . 14.8 tp -166.37 153.49 9.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.571 ' CG2' HD13 ' A' ' 11' ' ' ILE . 14.6 p 49.8 46.32 24.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -76.69 -61.26 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -67.59 -25.01 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.58 -174.01 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -100.28 134.79 20.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.47 35.05 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -93.84 30.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.06 -35.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.571 HD13 ' CG2' ' A' ' 3' ' ' THR . 4.1 mp -67.85 -36.67 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.38 -32.65 68.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.0 -19.39 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -90.61 -36.15 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.506 ' CD2' HD22 ' A' ' 67' ' ' LEU . 50.8 mt -74.03 -20.83 60.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -22.5 17.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -94.16 16.2 15.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.5 p -135.99 22.69 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.72 -17.1 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -75.6 159.75 80.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.699 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.75 133.14 24.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.5 t0 54.61 25.59 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.04 -12.78 20.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.733 ' CE2' HD21 ' A' ' 67' ' ' LEU . 31.5 t80 -95.41 145.82 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 64.0 p -171.94 155.0 3.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.667 0.746 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.52 34.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.707 2.272 . . . . 0.0 112.358 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -99.2 15.35 26.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -122.54 -34.92 3.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.712 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.5 p90 -86.24 -21.22 27.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.35 -31.31 21.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -87.12 -32.1 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.0 mt -71.78 -59.98 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.8 p -59.84 -40.0 87.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.37 17.76 6.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.6 mtm -69.57 -18.29 63.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 p -53.1 -34.9 58.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -64.44 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.3 mmpt? -51.9 171.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -151.73 45.37 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.429 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 43.0 t 58.04 21.32 7.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.7 t -118.92 -12.12 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.615 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -124.66 -15.98 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 103' ' ' GLN . 3.0 mt -55.56 -32.97 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.28 9.38 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -87.65 -29.6 21.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 42' ' ' GLN . 2.5 mp -91.7 -21.18 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 p90 38.83 39.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.599 ' HB2' HG22 ' A' ' 46' ' ' ILE . 62.0 mtt180 -145.61 14.74 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -127.12 -2.53 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' A' ' 102' ' ' PHE . 3.4 mt -115.86 -65.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -138.72 -174.95 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -131.47 5.85 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -121.21 -38.61 2.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 52.39 29.1 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.4 t -67.74 -22.86 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.91 -22.56 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -164.06 -169.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.595 HD12 HG13 ' A' ' 97' ' ' ILE . 24.4 mt -128.31 152.68 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -136.16 168.23 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -57.95 -21.08 42.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -75.24 -5.27 43.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -121.34 24.0 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 86' ' ' LEU . 16.0 mt -121.03 -52.33 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -47.69 -37.58 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -106.04 50.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -94.64 -59.45 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.733 HD21 ' CE2' ' A' ' 24' ' ' PHE . 32.1 mt -51.46 -29.42 16.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.578 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 3.6 tt0 -48.23 -46.26 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 HH21 HD13 ' A' ' 2' ' ' LEU . 10.7 mmm180 -50.66 -71.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CD2' HD21 ' A' ' 2' ' ' LEU . 75.6 m-85 -62.75 -72.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.17 164.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -120.18 14.78 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.18 11.9 2.3 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.88 123.42 27.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 111.071 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -101.02 -73.57 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 t -140.96 110.95 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.632 HD11 ' HG ' ' A' ' 67' ' ' LEU . 1.3 mt -53.94 171.77 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.422 HG23 ' OE1' ' A' ' 81' ' ' GLU . 43.5 p -76.77 165.14 25.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.55 -2.02 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.49 -45.81 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.422 ' OE1' HG23 ' A' ' 78' ' ' THR . 35.1 mt-10 -54.88 -52.35 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.508 ' O ' HD13 ' A' ' 63' ' ' LEU . 81.0 p -52.7 -51.02 62.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.093 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 24.6 ttpt -49.82 -44.09 49.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.4 t -88.67 42.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.551 ' HD2' HD22 ' A' ' 63' ' ' LEU . 2.3 t80 -121.56 -48.09 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 63' ' ' LEU . 4.1 pp -118.05 -22.15 7.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.667 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -74.44 -19.55 60.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.696 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.29 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 50.58 40.12 22.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -118.18 -15.98 9.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -82.08 -33.32 29.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 158.31 -52.96 0.39 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.535 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.75 19.52 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.34 -12.69 64.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -60.83 137.09 58.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.595 HG13 HD12 ' A' ' 58' ' ' ILE . 8.0 mm -87.25 160.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.3 51.1 0.29 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 49.96 39.03 17.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.337 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -150.9 -46.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.696 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 12.2 mm-40 -71.97 -50.63 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.501 ' CG ' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -52.97 -34.87 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.867 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.2 mp0 -65.98 -63.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.23 -25.43 33.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.4 ttm -64.68 -30.36 71.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.75 -48.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.429 ' NE2' ' H ' ' A' ' 40' ' ' SER . 44.3 mm-40 -62.8 -24.98 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 3' ' ' THR . 4.1 tp -138.04 -59.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.631 HG23 HD23 ' A' ' 2' ' ' LEU . 69.2 p -108.7 44.15 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -77.56 -73.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.686 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -58.05 -25.19 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.29 -173.3 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.22 136.72 19.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.693 0.758 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.506 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.4 Cg_endo -69.81 -13.88 35.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.9 p -94.12 24.4 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -123.83 -48.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.617 HD13 HG22 ' A' ' 3' ' ' THR . 4.9 mp -61.69 -24.76 34.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.24 69.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.46 -15.64 58.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 29' ' ' PHE . . . -93.07 -36.31 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD13 ' HB2' ' A' ' 71' ' ' GLU . 46.3 mt -74.55 -11.5 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.22 -46.51 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.93 -19.43 51.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.4 m -127.29 23.59 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -59.95 -21.62 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -72.26 160.26 83.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.76 141.53 45.47 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.82 22.6 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 t -115.86 -19.29 10.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 67' ' ' LEU . 53.5 t80 -100.29 143.93 29.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.25 160.63 21.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.749 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.88 9.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -92.43 28.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -132.58 -39.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.2 p90 -80.58 -22.57 40.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -51.11 -31.71 20.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -86.39 -30.56 22.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.7 mt -71.84 -47.51 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 m -76.04 -52.9 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.25 32.78 0.66 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.418 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 7.0 mtm -84.71 -23.99 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -53.77 -33.06 54.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -66.66 -27.67 67.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 35' ' ' MET . 2.9 mmpt? -57.53 -176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 p -168.63 56.06 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.6 p 50.55 25.38 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 t -125.65 -10.88 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.468 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.54 -7.83 3.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.39 -69.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -17.83 55.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -49.11 -47.52 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.686 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.6 mp -83.92 -15.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.7 p90 38.54 39.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.683 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -144.32 13.18 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.501 HG22 ' HZ ' ' A' ' 70' ' ' PHE . 45.6 pt -117.73 -20.37 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 102' ' ' PHE . 5.2 mt -91.33 -66.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -156.97 178.88 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -117.43 -14.07 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -65.97 -40.38 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 57.77 21.91 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 m -86.19 -34.17 20.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.72 -49.79 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -122.06 -174.42 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' HB ' HD23 ' A' ' 86' ' ' LEU . 9.8 mt -128.61 158.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 58' ' ' ILE . 3.4 tt0 -136.87 176.09 9.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.26 -22.38 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.22 -6.11 48.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -115.9 20.39 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 86' ' ' LEU . 18.2 mt -114.49 -51.78 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -47.11 -37.94 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -106.48 47.03 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 41.2 t80 -92.37 -48.88 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 77' ' ' LEU . 34.7 mt -51.8 -30.51 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -26.0 62.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -57.68 -52.71 64.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.77 ' HB2' HD11 ' A' ' 15' ' ' LEU . 24.5 m-85 -96.39 -61.23 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.836 ' HB2' HD13 ' A' ' 15' ' ' LEU . 7.2 tp10 -49.56 -46.45 48.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t 63.18 15.59 8.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -130.42 -31.91 0.55 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.21 174.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.66 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 t -142.73 152.94 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 67' ' ' LEU . 7.2 mt -105.61 -173.24 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -103.35 159.96 15.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.53 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.8 -52.06 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -62.12 -60.58 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.428 ' O ' HD13 ' A' ' 63' ' ' LEU . 45.9 p -49.28 -47.35 46.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -48.59 -45.63 38.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.5 ' HA ' ' HB2' ' A' ' 88' ' ' ALA . 9.1 t -90.32 43.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -135.16 -40.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.688 ' CB ' HD11 ' A' ' 63' ' ' LEU . 2.6 tm? -112.62 -33.81 6.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -104.78 24.33 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -94.69 -48.25 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.93 -70.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -178.29 -170.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -138.24 61.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.19 -44.71 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.2 -74.72 1.0 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -137.58 21.51 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.15 14.72 55.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 122.48 46.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.654 HG23 ' HB2' ' A' ' 101' ' ' GLU . 71.6 mt -86.42 147.43 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.43 -87.91 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.93 25.08 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -124.88 -35.58 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.654 ' HB2' HG23 ' A' ' 97' ' ' ILE . 27.4 mt-10 -91.72 -45.22 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.604 ' CE1' HD23 ' A' ' 50' ' ' LEU . 5.5 t80 -49.59 -32.94 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.97 -62.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.26 -25.3 22.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 4.5 ttm -67.42 -26.92 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.5 t -113.65 -68.99 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -29.43 70.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.798 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.904 0.383 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 3' ' ' THR . 57.5 tp -169.07 155.44 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 2' ' ' LEU . 10.0 t 37.28 43.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.58 -55.49 15.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.82 -22.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -94.19 -169.45 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -107.62 111.9 62.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.62 33.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -105.84 21.67 16.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.91 -35.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 70' ' ' PHE . 15.3 mt -61.78 -30.93 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.56 -35.19 75.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.62 -17.38 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.83 -36.85 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' CD2' HD22 ' A' ' 67' ' ' LEU . 48.7 mt -59.46 -26.97 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -52.16 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.87 -41.31 70.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.1 m -98.2 22.67 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -57.01 -30.63 64.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -54.57 161.16 2.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.529 0.681 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.72 138.74 38.66 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 53.21 27.95 6.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 m -109.54 -24.63 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CE2' HD21 ' A' ' 67' ' ' LEU . 15.5 t80 -95.74 88.03 4.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.829 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -95.5 159.47 32.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -39.83 6.13 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -91.34 36.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -135.5 -40.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.801 ' HA ' HD12 ' A' ' 32' ' ' ILE . 5.5 p90 -83.45 -20.64 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -51.52 -32.56 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -83.61 -28.43 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 29' ' ' PHE . 10.7 mt -78.86 -65.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -51.85 -58.09 7.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 134.86 42.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.78 ' HG2' HD11 ' A' ' 6' ' ' LEU . 3.0 mtm -95.94 -30.4 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -53.34 -32.96 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -65.22 -27.89 68.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -174.99 54.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.403 ' HA ' ' HG ' ' A' ' 43' ' ' LEU . 8.7 p 52.89 26.09 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 t -126.03 -8.09 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -135.8 -5.58 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 40' ' ' SER . 6.7 mt -64.13 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -51.41 -46.3 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.73 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.7 mp -85.19 -21.75 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.3 p90 37.96 42.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.687 ' HB2' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -144.48 15.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.636 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.07 8.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.64 HD22 ' OE1' ' A' ' 103' ' ' GLN . 9.8 mt -130.82 -68.04 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.36 107.24 12.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -73.35 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.85 -44.35 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 51.76 30.11 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -121.05 -32.92 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -131.79 -75.29 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -170.84 165.86 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.3 mt -76.53 152.38 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -150.35 166.64 29.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -58.15 -23.2 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.59 -6.57 49.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -122.34 25.72 8.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 85' ' ' PHE . 58.0 mt -113.87 -46.42 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.6 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -63.15 -9.5 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -107.69 33.59 3.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -86.01 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 15' ' ' LEU . 16.5 mt -51.8 -25.67 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.66 -25.57 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -86.72 -72.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.482 ' CE1' HD13 ' A' ' 11' ' ' ILE . 83.8 m-85 -56.88 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.01 169.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t -57.3 -50.76 71.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.68 58.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.0 174.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 ptt85 -120.3 -73.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.12 113.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 64' ' ' LYS . 1.5 mt -54.78 178.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.8 p -75.49 -173.21 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.97 -1.36 56.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -108.53 -45.78 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 84' ' ' THR . 9.7 mm-40 -52.64 -49.41 65.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 p -71.88 -36.81 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.736 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 53.3 tptt -60.98 -19.06 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 81' ' ' GLU . 15.4 t -110.26 27.69 9.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.521 ' HB2' HD13 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -105.85 -47.57 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.673 HD13 ' O ' ' A' ' 95' ' ' GLY . 4.2 pp -115.85 -22.65 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -81.56 -30.01 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.14 99.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.81 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -176.0 173.35 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -134.63 84.4 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -106.41 -87.77 1.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.64 22.74 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.673 ' O ' HD13 ' A' ' 86' ' ' LEU . . . 95.9 14.12 47.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -101.72 144.76 30.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.298 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.522 HG22 ' H ' ' A' ' 99' ' ' ALA . 44.3 mm -82.8 146.01 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -113.71 37.83 3.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.522 ' H ' HG22 ' A' ' 97' ' ' ILE . . . 53.8 27.41 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.08 -37.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -70.56 -62.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -51.2 -55.95 15.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.64 ' OE1' HD22 ' A' ' 50' ' ' LEU . 3.7 mp0 -51.92 -50.13 61.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.7 -48.82 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -52.02 -26.58 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.5 t -80.04 -65.92 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -53.44 -28.49 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.818 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.738 HD21 ' HA ' ' A' ' 70' ' ' PHE . 11.2 tp -64.97 -74.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 11' ' ' ILE . 66.4 p -100.86 21.25 13.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -77.26 -55.37 5.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.692 HG21 HD11 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -57.42 -23.6 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.445 HD21 ' C ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -121.14 -168.98 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -95.96 118.25 65.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -16.06 37.29 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.295 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -93.98 19.83 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -130.16 -35.2 1.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.738 HD13 HG22 ' A' ' 3' ' ' THR . 12.0 mt -69.81 -24.91 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.93 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.08 -16.1 62.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' A' ' 32' ' ' ILE . . . -95.6 -45.37 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 71' ' ' GLU . 34.5 mt -54.28 -24.55 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.0 ttm105 -92.74 -40.96 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.98 -5.85 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 p -119.18 13.23 12.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.57 -13.63 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -82.18 159.42 65.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.577 0.703 . . . . 0.0 111.098 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.71 148.03 64.48 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.11 34.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -116.31 -19.06 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.605 ' CD2' HD21 ' A' ' 67' ' ' LEU . 37.1 t80 -95.52 144.02 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.31 160.05 20.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.657 0.741 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.72 10.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.352 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -94.19 28.92 2.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.76 -40.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.723 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.0 p90 -88.01 -20.36 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -51.4 -30.34 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -88.12 -29.71 20.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.9 mt -75.23 -63.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.4 m -58.38 -44.13 88.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 113.88 45.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtm -95.09 -24.94 16.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -53.54 -33.51 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' HG3' ' HE3' ' A' ' 38' ' ' LYS . 6.9 ptpt -66.59 -27.89 68.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' CB ' HD21 ' A' ' 43' ' ' LEU . 4.7 mmpt? -52.26 172.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -148.65 46.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p 56.52 21.37 5.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -121.15 -6.82 9.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -131.66 -2.12 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.707 HD12 ' HA ' ' A' ' 103' ' ' GLN . 4.0 mt -70.98 -60.68 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -9.79 58.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -51.43 -44.07 62.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.701 HG22 ' HB2' ' A' ' 48' ' ' ARG . 3.4 mp -83.58 -21.37 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ILE . 34.8 p90 38.16 40.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.701 ' HB2' HG22 ' A' ' 46' ' ' ILE . 19.4 mtm180 -140.28 10.94 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -125.74 -3.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.4 mt -116.08 -66.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 121.24 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -83.76 2.07 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -106.49 -28.87 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 51.73 42.33 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -93.1 -61.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.06 -44.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -120.72 -176.22 3.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.887 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.6 mt -141.45 154.09 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -138.94 165.44 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.76 -21.21 55.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -78.17 -3.84 44.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -123.76 21.81 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 86' ' ' LEU . 54.8 mt -109.08 -35.34 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.61 166.62 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 65.19 14.81 9.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.47 -53.05 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.605 HD21 ' CD2' ' A' ' 24' ' ' PHE . 40.2 mt -55.44 -24.78 32.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.709 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 3.9 tt0 -72.24 -23.75 61.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -59.79 -46.32 89.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.738 ' HA ' HD21 ' A' ' 2' ' ' LEU . 84.5 m-85 -95.81 -36.97 10.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.711 ' HB2' HD13 ' A' ' 15' ' ' LEU . 14.9 tt0 -88.34 134.49 33.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -93.55 17.35 11.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.81 4.72 3.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.709 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -79.37 173.48 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.066 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.54 -73.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 77' ' ' LEU . 3.2 t -143.38 160.7 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' VAL . 1.8 mt -104.77 -176.09 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 27.5 p -105.2 -172.9 2.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 9.78 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.1 p -113.16 -51.16 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.84 -33.03 74.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.437 ' O ' HD13 ' A' ' 63' ' ' LEU . 35.6 p -83.11 -49.11 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.666 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 19.1 ttpp -51.77 -23.6 4.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.4 t -98.98 33.13 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.06 -40.01 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 87' ' ' ALA . 4.3 pp -116.29 -23.53 8.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -85.09 2.94 41.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.88 -10.27 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.05 -74.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -150.47 177.04 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -106.4 26.37 9.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -54.03 -36.91 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.76 -80.97 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -140.23 22.61 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.01 20.37 39.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -70.28 85.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.96 148.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -141.93 53.51 0.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.76 37.63 17.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -150.91 -52.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.03 -55.02 35.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -57.32 -55.59 32.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.707 ' HA ' HD12 ' A' ' 43' ' ' LEU . 3.9 mp0 -52.25 -34.0 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -79.51 -30.12 41.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.06 -49.74 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.2 t -57.63 -52.76 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -50.8 -31.62 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.783 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.905 0.383 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.769 ' CD1' HG23 ' A' ' 3' ' ' THR . 0.3 OUTLIER -68.75 135.88 51.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.818 HG21 ' HA ' ' A' ' 8' ' ' PRO . 58.9 p 46.76 56.61 6.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.64 -54.34 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.62 ' CG2' HD11 ' A' ' 46' ' ' ILE . 1.1 tp -80.74 -25.4 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.83 -174.77 2.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -107.51 141.13 22.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.688 0.756 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.818 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.6 Cg_endo -69.84 -13.78 34.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.635 2.223 . . . . 0.0 112.366 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -87.67 11.13 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -117.33 -48.45 2.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.621 HD13 HG22 ' A' ' 3' ' ' THR . 4.3 mp -61.52 -26.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.8 -34.87 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -22.88 65.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.69 -46.44 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.831 HD13 ' HB2' ' A' ' 71' ' ' GLU . 39.7 mt -53.73 -27.28 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.86 -21.9 19.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -98.86 20.56 12.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.2 p -145.76 20.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.74 -14.52 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -83.86 157.48 63.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 111.082 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.2 Cg_endo -69.73 142.76 48.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t0 55.89 25.18 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 t -110.57 -21.85 11.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.736 ' CE2' HD21 ' A' ' 67' ' ' LEU . 19.1 t80 -95.62 143.61 26.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -166.46 160.72 12.13 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -36.74 10.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -92.72 35.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -135.17 -40.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.5 p90 -88.03 -19.5 27.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -51.26 -32.1 23.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -87.01 -32.26 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.9 mt -70.11 -61.98 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.5 p -59.32 -49.65 77.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.09 23.42 1.78 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.7 mtm -72.37 -21.64 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -54.19 -32.82 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -64.81 -26.75 68.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.57 179.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -166.26 44.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t 59.71 26.58 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.13 -0.4 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.627 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -134.42 -24.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.934 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' A' ' 103' ' ' GLN . 10.1 mt -53.38 -26.13 18.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -20.08 18.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.04 -45.42 92.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.651 HG22 ' HB2' ' A' ' 48' ' ' ARG . 2.9 mp -85.56 -26.41 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.8 p90 37.9 42.62 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.651 ' HB2' HG22 ' A' ' 46' ' ' ILE . 11.1 mtm180 -142.53 13.53 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -126.52 -5.06 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -118.21 -64.09 1.33 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -129.74 171.41 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -121.94 -53.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -65.39 -32.91 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 49.49 37.23 11.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.1 t -96.37 -7.86 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.94 -74.18 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -123.38 165.31 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.811 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 59' ' ' GLU . 10.3 mt -91.18 159.08 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' N ' HG22 ' A' ' 58' ' ' ILE . 7.9 tp10 -144.08 160.16 41.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.74 -22.97 49.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.54 -7.35 51.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -120.32 25.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.708 HD11 ' CD2' ' A' ' 86' ' ' LEU . 43.7 mt -118.57 -34.95 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -59.1 -60.04 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -76.3 46.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.565 ' HD1' HD23 ' A' ' 67' ' ' LEU . 36.6 t80 -92.18 -64.27 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.736 HD21 ' CE2' ' A' ' 24' ' ' PHE . 20.7 mt -56.22 -22.32 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -19.1 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -85.18 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.812 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.492 ' CG ' HG21 ' A' ' 11' ' ' ILE . 48.0 m-85 -52.71 -70.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.831 ' HB2' HD13 ' A' ' 15' ' ' LEU . 76.1 tt0 -49.77 -36.88 27.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 62.37 16.58 8.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.49 14.81 1.08 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.14 178.5 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.569 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.27 -61.79 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -164.16 155.85 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 67' ' ' LEU . 16.1 mt -104.96 -174.86 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 59.1 p -104.85 161.8 13.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.05 -13.05 59.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.54 -51.74 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.95 -60.68 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.463 ' O ' HD13 ' A' ' 63' ' ' LEU . 57.4 p -51.46 -47.96 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 3.9 tmtt? -46.84 -45.19 20.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.8 t -90.35 44.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HB3' HD13 ' A' ' 63' ' ' LEU . 2.3 t80 -122.07 -40.3 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.708 ' CD2' HD11 ' A' ' 63' ' ' LEU . 4.0 pp -120.6 -21.54 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.667 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -79.75 -28.45 40.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.45 -12.26 41.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.816 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -60.87 -75.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -151.04 153.59 35.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -96.55 25.88 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -52.11 -29.72 23.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.26 -64.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -153.36 21.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 23.26 31.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -68.24 94.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.764 0.316 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 102' ' ' PHE . 73.5 mt -87.26 145.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.62 65.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.61 49.81 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.709 0.29 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.05 -37.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.816 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 50.2 mm-40 -86.64 -50.0 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.518 ' HB2' HG21 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -54.35 -37.37 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' A' ' 43' ' ' LEU . 2.5 mp0 -57.22 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -55.32 -30.54 60.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.3 ttp -64.58 -26.64 68.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -95.71 -51.06 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -59.23 -23.77 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.813 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.897 0.38 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.57 HD12 ' HD3' ' A' ' 48' ' ' ARG . 4.2 tp -74.51 140.81 44.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.616 HG21 ' HA ' ' A' ' 8' ' ' PRO . 28.8 p 48.3 56.53 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.24 -55.36 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.675 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -81.69 -10.02 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.49 -175.56 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.61 136.75 19.52 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.814 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.616 ' HA ' HG21 ' A' ' 3' ' ' THR . 53.7 Cg_endo -69.74 -16.71 37.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m -95.97 27.74 3.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -129.5 -35.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.508 HG21 ' CG ' ' A' ' 70' ' ' PHE . 3.4 mp -71.8 -26.35 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.61 -33.56 74.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -29.18 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.28 -46.27 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.817 HD13 ' HB2' ' A' ' 71' ' ' GLU . 80.0 mt -56.83 -23.69 45.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -94.05 -52.86 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.94 -19.43 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 m -125.0 25.22 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.88 -23.53 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -67.55 160.27 73.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.561 0.696 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.3 Cg_endo -69.76 135.74 31.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.33 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 t0 62.25 19.13 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -105.82 -19.11 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.435 ' CE2' HD21 ' A' ' 67' ' ' LEU . 26.0 t80 -96.25 144.14 26.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.67 158.63 29.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.677 0.751 . . . . 0.0 110.871 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -36.84 10.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -92.93 32.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.96 -40.18 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.708 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.0 p90 -82.09 -21.62 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -52.17 -32.87 38.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -84.03 -32.21 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 29' ' ' PHE . 14.9 mt -72.87 -60.39 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 m -59.22 -47.54 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.4 22.29 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mtm -71.07 -25.56 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -53.34 -33.23 52.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.15 -35.08 74.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -50.61 165.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -143.76 45.06 1.49 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.97 14.05 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -109.62 -14.2 14.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.547 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -127.55 -1.74 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -40.22 74.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -11.76 25.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -55.19 -45.91 75.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.675 HD11 ' CG2' ' A' ' 5' ' ' ILE . 1.7 mp -84.89 -25.22 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.1 p90 38.4 40.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.57 ' HD3' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -137.86 2.52 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.474 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -115.19 -10.13 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 ' CE1' ' A' ' 102' ' ' PHE . 5.4 mt -98.38 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' CG ' HG23 ' A' ' 58' ' ' ILE . 9.8 t0 -144.69 -176.3 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -126.35 3.38 7.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -106.35 -52.91 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 62.76 41.88 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 t -108.79 -16.06 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 168.93 -78.14 0.1 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -123.99 163.97 20.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG23 ' CG ' ' A' ' 51' ' ' ASP . 19.7 mt -93.07 154.89 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -139.57 160.75 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.04 -23.01 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -77.83 -4.3 45.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -124.34 25.64 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.68 HD11 ' HG ' ' A' ' 86' ' ' LEU . 53.1 mt -109.9 -46.47 3.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 77' ' ' LEU . 24.8 mtmt -59.5 165.27 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.72 ' CE2' HG22 ' A' ' 76' ' ' VAL . 8.8 m-85 56.02 24.61 7.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.544 ' HD1' HD23 ' A' ' 67' ' ' LEU . 34.9 t80 -83.02 -49.7 9.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.544 HD23 ' HD1' ' A' ' 66' ' ' PHE . 15.1 mt -51.8 -30.33 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -56.09 -26.04 48.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -58.85 -60.54 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.695 ' HB2' HD11 ' A' ' 15' ' ' LEU . 45.6 m-85 -84.96 -57.49 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.817 ' HB2' HD13 ' A' ' 15' ' ' LEU . 62.7 tt0 -48.77 -43.65 38.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.1 t 61.86 17.48 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -135.23 -36.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.11 176.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.82 -67.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.72 HG22 ' CE2' ' A' ' 65' ' ' TYR . 3.1 t -137.0 161.01 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 64' ' ' LYS . 1.6 mt -103.56 -176.35 3.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.6 p -105.05 -176.76 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.45 4.01 33.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -105.4 -57.59 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.419 ' O ' HG22 ' A' ' 84' ' ' THR . 25.6 mt-10 -53.68 -46.67 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.456 ' O ' HD13 ' A' ' 63' ' ' LEU . 25.2 p -70.83 -46.27 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 17.8 tptm -54.89 -23.22 17.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 81' ' ' GLU . 12.7 t -105.41 25.51 10.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.97 -39.65 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 87' ' ' ALA . 2.3 pp -115.87 -19.81 10.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.705 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -84.97 -15.95 42.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.62 93.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.85 -76.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.9 -176.17 0.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -124.78 48.19 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -53.38 -32.6 50.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -131.0 -70.41 0.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -147.33 29.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.379 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 66.2 32.32 81.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 101.38 10.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 86' ' ' LEU . 35.4 mt -79.7 145.53 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.72 -91.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.12 12.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.03 -11.99 7.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -109.32 -27.58 9.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CE1' HD23 ' A' ' 50' ' ' LEU . 7.7 t80 -72.56 -37.09 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -64.66 -35.42 80.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -76.22 -12.65 60.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.1 ttp -87.34 -26.51 23.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 82.6 t -110.54 -60.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -55.72 -42.12 74.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.818 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.761 HD21 ' HA ' ' A' ' 70' ' ' PHE . 30.4 tp -125.3 154.7 41.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.659 HG23 ' HG ' ' A' ' 2' ' ' LEU . 14.1 p 49.8 33.1 5.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.83 -75.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.591 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -61.96 -24.61 34.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.762 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -93.11 -170.1 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -106.35 118.17 55.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.731 0.777 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -22.96 31.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.315 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 t -95.48 29.04 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -140.46 -46.96 0.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.788 HG21 ' CD1' ' A' ' 70' ' ' PHE . 13.7 mt -55.51 -25.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.97 -25.5 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.11 -16.21 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.95 -36.82 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 ' CD2' HD22 ' A' ' 67' ' ' LEU . 44.5 mt -59.73 -29.44 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -93.54 -22.66 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -95.12 20.01 9.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -135.35 18.43 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -61.3 -18.9 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -74.92 158.45 84.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.3 Cg_endo -69.74 142.83 49.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.676 2.251 . . . . 0.0 112.376 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.45 33.52 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 t -102.62 -19.87 14.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.46 ' CE2' HD21 ' A' ' 67' ' ' LEU . 5.7 t80 -95.46 127.05 41.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 m -142.59 160.26 54.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.686 0.755 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -37.87 8.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -93.31 33.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -132.16 -40.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.759 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.5 p90 -88.58 -17.24 30.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HB2' HG13 ' A' ' 106' ' ' VAL . 8.1 p90 -51.35 -32.48 25.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -86.81 -31.4 20.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 29' ' ' PHE . 22.2 mt -71.92 -67.43 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.422 ' HB2' HD22 ' A' ' 6' ' ' LEU . 90.8 p -53.25 -54.23 39.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.54 44.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.762 ' HG2' HD11 ' A' ' 6' ' ' LEU . 11.7 mtm -97.64 -27.26 14.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -32.97 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HG3' ' HE3' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -66.42 -28.56 68.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CB ' HD21 ' A' ' 43' ' ' LEU . 3.4 mmpt? -50.05 168.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -153.1 49.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.402 ' HG ' ' HB3' ' A' ' 103' ' ' GLN . 0.5 OUTLIER 54.52 24.7 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.11 -8.86 8.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.478 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.38 -8.67 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.738 HD12 ' HG3' ' A' ' 103' ' ' GLN . 2.7 mt -61.9 -68.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -9.31 58.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.8 -46.41 67.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' CG2' ' A' ' 5' ' ' ILE . 3.3 mp -85.85 -21.42 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 p90 39.47 38.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' HE ' HD13 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -137.19 1.75 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.3 pt -113.88 -40.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -70.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -151.29 132.35 14.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.04 18.79 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -107.67 -37.06 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 55.61 23.27 5.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -83.26 -26.99 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.63 -49.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.7 -176.79 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.709 HD12 HG13 ' A' ' 97' ' ' ILE . 24.8 mt -127.96 153.84 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -135.74 167.88 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -58.76 -20.41 49.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -76.36 -5.61 47.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -117.82 15.74 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 86' ' ' LEU . 18.3 mt -110.21 -22.09 11.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.707 ' HG2' HG21 ' A' ' 82' ' ' THR . 22.6 mttm -83.19 -0.28 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.33 45.93 2.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.619 ' HD1' HD23 ' A' ' 67' ' ' LEU . 38.2 t80 -90.28 -66.86 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.707 HD22 ' CD2' ' A' ' 15' ' ' LEU . 19.3 mt -54.39 -25.33 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -19.32 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -85.07 -58.18 2.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.788 ' CD1' HG21 ' A' ' 11' ' ' ILE . 94.0 m-85 -71.56 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.55 -40.81 72.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 62.85 16.26 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.19 -33.08 0.42 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.71 173.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.57 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.69 -37.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -165.38 161.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -106.26 175.01 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.0 p -75.93 170.36 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.65 -9.76 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.448 ' O ' HG22 ' A' ' 84' ' ' THR . 13.8 m -95.1 -55.32 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -47.79 -46.89 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.707 HG21 ' HG2' ' A' ' 64' ' ' LYS . 40.8 p -69.55 -47.37 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 35.0 ttpt -48.32 -45.1 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 80' ' ' SER . 8.8 t -92.95 39.65 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.605 ' CD1' HD22 ' A' ' 63' ' ' LEU . 7.2 t80 -124.52 -40.05 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.713 ' HB3' HD11 ' A' ' 63' ' ' LEU . 2.4 tm? -112.32 -29.58 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -77.0 -3.17 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.68 -41.53 12.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -93.63 20.17 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.5 p30 -76.51 71.48 3.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -131.02 8.13 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.62 -21.88 54.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.86 -40.61 1.24 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.92 27.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.31 22.62 78.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -106.35 106.9 17.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.736 0.303 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.709 HG13 HD12 ' A' ' 58' ' ' ILE . 41.7 mm -55.53 148.68 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.62 48.93 0.65 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 52.91 28.16 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -140.57 -37.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.698 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 35.6 mm-40 -70.76 -63.79 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -50.3 -49.27 54.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.738 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.1 mp0 -51.52 -39.62 58.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -77.96 -26.11 48.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.6 ttp -68.78 -46.0 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.432 HG13 ' HB2' ' A' ' 30' ' ' PHE . 47.3 t -79.47 -56.31 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.07 -22.39 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.919 0.39 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.642 ' O ' HG21 ' A' ' 46' ' ' ILE . 11.2 tp -121.65 -48.17 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.54 HG22 HD13 ' A' ' 11' ' ' ILE . 42.9 p -111.32 40.72 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -76.15 -74.91 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.716 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -60.48 -25.15 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.688 HD13 ' H ' ' A' ' 7' ' ' SER . 0.4 OUTLIER -99.37 168.32 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.688 ' H ' HD13 ' A' ' 6' ' ' LEU . 34.5 t -87.27 121.06 71.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.679 0.752 . . . . 0.0 110.819 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.16 27.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.32 22.45 6.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -126.83 -31.96 2.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.816 HG21 ' CD1' ' A' ' 70' ' ' PHE . 5.1 mt -66.97 -30.15 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 -34.53 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 -26.31 67.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -86.85 -45.82 10.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 ' HB2' ' A' ' 71' ' ' GLU . 82.6 mt -55.41 -24.86 32.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -91.12 -54.72 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -60.49 -17.99 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 m -122.0 43.67 2.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -88.39 13.98 10.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -110.49 161.41 24.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.554 0.692 . . . . 0.0 111.086 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.73 134.88 29.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.712 2.274 . . . . 0.0 112.333 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.5 t70 63.1 22.8 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -116.42 -18.39 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.756 ' CE2' HD21 ' A' ' 67' ' ' LEU . 57.1 t80 -106.07 127.2 53.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.02 160.05 32.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.686 0.755 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.08 30.14 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -98.03 23.08 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -129.24 -39.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.734 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.7 p90 -84.9 -10.49 57.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.834 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -53.87 -28.11 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -95.58 -28.71 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.8 mt -71.91 -47.83 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.653 ' OG ' HD11 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -76.32 -41.23 49.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.18 22.82 3.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -77.27 -15.51 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -53.38 -33.12 52.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -66.68 -30.07 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' CB ' HD21 ' A' ' 43' ' ' LEU . 1.7 mmpt? -51.83 171.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 p -153.43 41.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.419 ' H ' ' NE2' ' A' ' 107' ' ' GLN . 2.8 p 59.78 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -119.96 -11.87 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.444 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -121.93 -19.41 6.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 103' ' ' GLN . 2.7 mt -49.79 -39.32 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -18.92 25.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -50.87 -45.26 59.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.716 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.0 mp -83.11 -17.51 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.6 p90 38.31 41.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HB3' HD13 ' A' ' 2' ' ' LEU . 14.8 mtt180 -147.52 17.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.452 HD11 ' CA ' ' A' ' 43' ' ' LEU . 30.0 pt -118.93 -24.56 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -91.79 -66.74 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -135.28 -170.7 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -133.02 9.25 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.84 -32.77 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 52.78 34.33 16.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -84.29 -21.8 30.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.43 -61.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -122.86 -168.97 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.0 mt -128.45 152.2 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -133.11 164.84 26.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -58.91 -21.69 58.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.62 -8.37 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -115.83 19.01 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.688 HD21 HD23 ' A' ' 86' ' ' LEU . 18.0 mt -116.63 -51.28 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -47.93 -39.37 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.21 47.77 0.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -93.69 -55.56 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.776 ' CD1' HD21 ' A' ' 77' ' ' LEU . 24.6 mt -56.36 -21.29 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -53.54 -22.99 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -84.71 -63.52 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.816 ' CD1' HG21 ' A' ' 11' ' ' ILE . 43.2 m-85 -56.51 -53.55 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.755 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.1 tp10 -86.96 164.66 16.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -112.13 13.3 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.45 6.9 3.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -74.76 123.19 24.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 -108.12 -63.44 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 t -146.23 150.2 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.776 HD21 ' CD1' ' A' ' 67' ' ' LEU . 8.3 mt -105.46 -173.04 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 21' ' ' PRO . 27.9 p -103.06 -178.86 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.49 -0.84 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 m -101.08 -58.45 1.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 84' ' ' THR . 49.6 mt-10 -50.44 -45.2 55.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.9 p -72.02 -46.35 57.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.572 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.7 ttpp -56.58 -23.87 43.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.516 ' HA ' ' HB2' ' A' ' 88' ' ' ALA . 13.2 t -100.86 26.22 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.63 -57.24 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.688 HD23 HD21 ' A' ' 63' ' ' LEU . 4.4 pp -112.15 -25.01 9.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.653 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -87.15 2.66 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 84' ' ' THR . . . -95.67 -39.66 9.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.632 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.41 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -170.9 173.2 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.4 66.14 1.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.81 -37.32 78.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.0 -57.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.24 26.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.82 25.18 76.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -92.12 127.16 37.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 101' ' ' GLU . 18.9 mm -83.3 154.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.6 53.89 0.61 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.82 39.97 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.758 0.313 . . . . 0.0 111.079 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -147.84 -37.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.677 ' HB2' HG23 ' A' ' 97' ' ' ILE . 8.2 mt-10 -80.05 -51.53 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.517 ' HB2' HG21 ' A' ' 97' ' ' ILE . 4.8 t80 -56.4 -35.5 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.63 ' HA ' HD12 ' A' ' 43' ' ' LEU . 2.9 mp0 -64.08 -62.1 1.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -54.47 -28.07 41.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 5.4 ttp -65.62 -27.03 68.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.4 t -93.44 -49.56 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.419 ' NE2' ' H ' ' A' ' 40' ' ' SER . 25.2 mm-40 -59.33 -40.08 85.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 tp -65.48 145.34 56.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.692 HG22 ' CD1' ' A' ' 11' ' ' ILE . 15.9 p 49.61 44.5 24.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.21 -75.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -76.86 -22.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.545 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -91.95 -167.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.464 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 13.7 t -127.27 146.66 58.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.662 0.744 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -7.98 22.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.9 m -110.21 16.59 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -128.76 -35.45 1.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.692 ' CD1' HG22 ' A' ' 3' ' ' THR . 13.7 mt -69.65 -20.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.95 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 -19.64 62.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.69 -33.47 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' HB2' ' A' ' 71' ' ' GLU . 82.7 mt -69.63 -17.98 63.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -105.84 -50.88 3.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -60.15 -19.47 53.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -117.6 19.44 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -24.42 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.57 160.56 59.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.8 147.62 63.04 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 43.2 34.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 m -115.85 -20.92 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.674 ' CE2' HD21 ' A' ' 67' ' ' LEU . 61.6 t80 -95.61 144.28 26.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.72 160.7 27.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.54 10.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 30.49 1.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -133.89 -40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.717 ' HA ' HD12 ' A' ' 32' ' ' ILE . 3.7 p90 -79.51 -19.56 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -53.57 -25.51 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -96.21 -28.32 14.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 29' ' ' PHE . 25.9 mt -71.6 -47.41 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.87 -44.47 31.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.19 25.61 2.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.413 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 7.7 mtm -77.52 -18.53 56.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p -53.2 -32.91 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -66.78 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 35' ' ' MET . 0.7 OUTLIER -54.96 177.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 t -168.45 64.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t 51.65 26.32 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -124.45 -9.74 7.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.485 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -138.95 -1.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.719 HD12 ' HG3' ' A' ' 103' ' ' GLN . 13.7 mt -64.15 -52.23 60.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -5.22 59.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.76 -48.36 81.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.73 HD11 ' CG2' ' A' ' 5' ' ' ILE . 2.6 mp -73.9 -33.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 58.39 31.64 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -140.37 14.73 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.0 pt -117.93 -16.2 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mt -105.94 -68.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -155.1 150.15 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -105.04 27.74 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -121.87 -38.21 2.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 51.49 32.16 8.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -89.44 -20.72 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.3 -62.58 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -123.29 -171.13 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 mt -128.88 156.22 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -137.22 167.45 21.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.73 -21.5 41.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.0 -7.18 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 86' ' ' LEU . 14.6 mt -118.55 -56.0 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -46.23 -37.02 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -105.25 46.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HD1' HD23 ' A' ' 67' ' ' LEU . 41.1 t80 -91.68 -57.34 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.674 HD21 ' CE2' ' A' ' 24' ' ' PHE . 21.2 mt -55.95 -22.34 25.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -16.01 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -55.7 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 11' ' ' ILE . 75.7 m-85 -76.65 -59.01 2.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 15' ' ' LEU . 42.3 tp10 -59.65 -40.66 88.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 63.46 16.83 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.45 -35.84 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.05 173.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -49.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 t -146.06 149.78 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 67' ' ' LEU . 3.7 mt -106.12 173.41 6.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.7 p -76.0 179.04 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.12 -3.79 58.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.668 ' O ' HG22 ' A' ' 84' ' ' THR . 4.4 m -101.55 -51.43 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -52.51 -48.05 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' HD13 ' A' ' 63' ' ' LEU . 63.0 p -71.34 -46.85 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.625 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 2.1 ttmp? -55.36 -42.11 73.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 80' ' ' SER . 12.8 t -88.73 18.05 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CD2' HD22 ' A' ' 63' ' ' LEU . 1.9 t80 -89.18 -47.77 7.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -115.02 -28.61 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -82.69 1.53 38.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.38 -39.0 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -54.28 -62.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -159.33 -173.87 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -148.1 58.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.3 -33.49 73.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.15 -57.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -141.14 25.54 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.54 28.15 72.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -93.24 125.19 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.667 HG21 ' HB2' ' A' ' 102' ' ' PHE . 16.3 mm -74.25 145.51 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.66 51.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.13 43.57 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.731 0.301 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -153.43 -37.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.638 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 52.5 mm-40 -78.33 -55.55 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.667 ' HB2' HG21 ' A' ' 97' ' ' ILE . 1.8 t80 -51.85 -37.14 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.719 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.5 mp0 -64.97 -38.48 91.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.54 -19.42 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.3 ttp -73.16 -25.77 60.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.0 t -86.61 -36.24 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.07 -31.13 69.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.942 0.401 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.514 ' HG ' HG23 ' A' ' 3' ' ' THR . 19.8 tp -49.22 162.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.514 HG23 ' HG ' ' A' ' 2' ' ' LEU . 41.6 p 48.45 62.26 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -114.76 -54.54 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.35 -15.05 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -126.55 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -89.91 121.42 68.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.705 0.764 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -22.85 31.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -95.58 25.16 4.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.76 -34.96 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.695 HG21 ' CD1' ' A' ' 70' ' ' PHE . 9.3 mt -72.02 -27.47 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.19 64.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 -16.37 59.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 29' ' ' PHE . . . -86.85 -34.72 19.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.72 HD11 ' CB ' ' A' ' 70' ' ' PHE . 72.1 mt -69.68 -21.17 63.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -94.33 -49.72 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.98 -41.3 87.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.7 m -104.49 29.78 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.29 -23.59 61.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -62.58 159.9 39.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.6 Cg_endo -69.8 137.82 36.24 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.7 t0 55.36 25.8 7.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -113.23 -11.68 13.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.426 ' CE2' HD21 ' A' ' 67' ' ' LEU . 43.6 t80 -95.64 126.62 41.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -140.63 161.41 54.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -37.73 8.71 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -94.21 34.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -134.21 -41.03 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.785 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.3 p90 -83.61 -25.58 30.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.647 ' HB2' HG13 ' A' ' 106' ' ' VAL . 2.1 p90 -52.11 -30.08 24.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -86.95 -28.34 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.785 HD12 ' HA ' ' A' ' 29' ' ' PHE . 23.4 mt -74.95 -47.45 36.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 p -76.21 -54.39 6.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.63 ' O ' HD11 ' A' ' 6' ' ' LEU . . . 127.8 46.01 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.618 ' HE3' HG11 ' A' ' 106' ' ' VAL . 11.4 mtm -99.13 -25.94 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -54.5 -36.03 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -27.18 68.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' CB ' HD21 ' A' ' 43' ' ' LEU . 7.5 mmpt? -54.71 178.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 m -162.27 57.34 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.58 25.02 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 t -122.21 -5.83 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.541 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -136.92 -5.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.735 ' HA ' HD11 ' A' ' 49' ' ' ILE . 1.8 mt -72.87 -67.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -7.93 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -51.45 -45.46 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.496 HD13 HD13 ' A' ' 49' ' ' ILE . 1.7 mp -85.26 -30.57 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 60.43 18.59 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -134.06 2.49 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.735 HD11 ' HA ' ' A' ' 43' ' ' LEU . 46.2 pt -102.86 -20.26 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 43' ' ' LEU . 4.0 mt -93.19 -62.93 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -147.42 178.93 8.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -117.77 -15.4 10.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.02 -35.67 80.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 51.36 30.19 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 m -100.7 -18.66 16.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.52 -29.66 3.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -122.34 -175.21 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.4 mt -139.8 152.41 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -135.53 165.28 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -58.76 -20.4 49.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -78.22 -3.38 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -123.32 24.1 8.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 86' ' ' LEU . 31.7 mt -116.44 -35.0 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' O ' HD12 ' A' ' 77' ' ' LEU . 13.4 ptpt -59.32 -47.59 84.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -78.27 45.11 0.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' HD1' HD23 ' A' ' 67' ' ' LEU . 31.3 t80 -96.25 -67.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.512 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 34.3 mt -51.8 -26.6 10.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.732 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 5.2 tt0 -50.04 -47.13 53.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -51.55 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.72 ' CB ' HD11 ' A' ' 15' ' ' LEU . 55.3 m-85 -57.63 -70.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -51.51 162.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 8.56 18.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.25 10.65 2.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -78.38 122.14 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.03 -50.14 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.9 t -145.84 151.67 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 64' ' ' LYS . 1.4 mt -105.42 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -76.16 170.53 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.05 -1.91 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.557 ' O ' HG22 ' A' ' 84' ' ' THR . 3.1 m -104.73 -54.44 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.61 -47.55 49.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 63' ' ' LEU . 36.5 p -70.62 -47.79 58.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 1.3 ttmp? -49.3 -43.21 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 80' ' ' SER . 12.0 t -92.87 34.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.418 ' HB3' HD13 ' A' ' 63' ' ' LEU . 1.2 t80 -109.39 -40.1 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 63' ' ' LEU . 4.0 pp -120.88 -21.63 6.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.673 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -76.14 -6.92 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.73 -10.15 44.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.535 ' HB1' ' CB ' ' A' ' 101' ' ' GLU . . . -68.53 -75.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -162.89 -170.18 2.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -135.66 58.86 1.74 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.66 -28.11 63.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.795 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.69 -92.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -136.17 25.6 3.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.13 -16.46 11.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -68.82 132.25 46.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.508 HD11 ' HB2' ' A' ' 86' ' ' LEU . 16.3 mm -78.66 153.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -106.82 29.38 10.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.33 41.24 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.82 -38.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.535 ' CB ' ' HB1' ' A' ' 89' ' ' ALA . 30.6 mp0 -72.13 -61.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -51.74 -29.59 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -74.84 -49.56 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -67.78 -23.76 65.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.1 ttm -65.5 -29.6 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 30' ' ' PHE . 47.5 t -94.07 -47.78 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -49.71 -39.76 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 48' ' ' ARG . 6.8 tp -165.05 152.54 11.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p 50.19 38.88 18.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -74.49 -76.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.565 ' CG2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -58.75 -23.55 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 7' ' ' SER . 0.5 OUTLIER -100.83 167.15 10.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.728 ' N ' HD13 ' A' ' 6' ' ' LEU . 2.6 m -83.89 122.39 76.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.676 0.75 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -35.31 12.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 p -91.8 23.72 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.72 -30.73 3.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 6' ' ' LEU . 5.4 mt -67.4 -31.71 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -27.8 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.23 -18.25 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.84 -35.81 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 71' ' ' GLU . 56.2 mt -58.36 -29.77 66.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -98.06 -53.26 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.62 -41.21 69.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.2 m -101.99 25.58 8.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.85 -26.02 68.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -60.92 160.46 20.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.606 0.717 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.74 134.35 27.8 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.26 21.64 12.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.1 t -106.54 -23.85 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.431 ' CD2' HD21 ' A' ' 67' ' ' LEU . 50.1 t80 -98.06 152.87 18.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -170.44 159.76 6.12 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -36.96 9.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.14 30.51 1.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -133.24 -39.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.766 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.3 p90 -84.98 -14.67 46.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -52.88 -28.37 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -91.06 -30.93 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 29' ' ' PHE . 10.1 mt -74.56 -59.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.656 ' OG ' HD11 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -59.04 -41.94 89.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.83 29.61 2.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.1 mtm -83.25 -17.71 41.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.4 p -54.07 -33.24 57.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -65.93 -26.86 67.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -178.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 t -166.93 40.52 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.9 m 62.37 18.49 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -118.69 -6.25 10.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.15 -17.19 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.744 HD12 ' HG3' ' A' ' 103' ' ' GLN . 15.3 mt -54.66 -40.96 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 5.2 33.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -84.16 -30.66 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.565 HD11 ' CG2' ' A' ' 5' ' ' ILE . 1.6 mp -89.16 -31.91 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 t80 49.19 34.46 6.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HD2' HD12 ' A' ' 2' ' ' LEU . 10.2 mtm-85 -149.93 18.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.458 HD13 HD13 ' A' ' 46' ' ' ILE . 23.6 pt -122.53 -27.27 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.59 -67.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.64 ' OD2' HG23 ' A' ' 58' ' ' ILE . 40.8 t0 -173.6 165.59 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -99.85 -2.63 34.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.77 26.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -23.36 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 t -60.24 -19.37 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.56 -61.09 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -177.52 -168.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.64 HG23 ' OD2' ' A' ' 51' ' ' ASP . 7.9 mt -127.38 156.51 39.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -140.91 169.51 17.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -58.86 -23.17 60.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.8 -8.85 57.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -113.13 16.28 19.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.733 HD11 ' CB ' ' A' ' 86' ' ' LEU . 13.6 mt -113.19 -21.04 11.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.649 ' HG2' HG21 ' A' ' 82' ' ' THR . 48.7 mttt -83.75 4.42 28.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -132.75 53.69 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' HD1' HD23 ' A' ' 67' ' ' LEU . 43.5 t80 -97.62 -58.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.501 HD23 ' HD1' ' A' ' 66' ' ' PHE . 25.3 mt -52.61 -27.91 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.29 -45.36 84.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -49.72 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -63.51 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.645 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.4 tp10 -71.22 123.6 22.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -92.06 18.68 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -131.39 6.14 5.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.26 174.0 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.84 -72.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 77' ' ' LEU . 3.4 t -144.64 160.44 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -105.29 -176.61 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.8 p -104.91 163.23 12.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.61 -16.07 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -51.58 9.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -61.74 -56.01 24.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.649 HG21 ' HG2' ' A' ' 64' ' ' LYS . 41.1 p -53.65 -47.51 70.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -47.77 -45.05 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -90.17 44.33 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.587 ' CD1' HD22 ' A' ' 63' ' ' LEU . 6.0 t80 -136.5 -40.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.733 ' CB ' HD11 ' A' ' 63' ' ' LEU . 2.5 tm? -113.31 -34.01 5.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.25 18.71 10.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.073 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.12 -36.84 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -48.99 -69.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.98 176.46 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -137.68 47.74 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -51.61 -39.84 58.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.23 -61.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.46 23.9 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.81 -11.69 71.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -57.59 123.42 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.623 HG23 ' HB2' ' A' ' 101' ' ' GLU . 20.0 mm -87.45 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.3 54.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 50.51 35.62 11.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -144.12 -37.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.623 ' HB2' HG23 ' A' ' 97' ' ' ILE . 59.8 mt-10 -74.47 -61.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' A' ' 97' ' ' ILE . 5.4 t80 -56.68 -24.37 48.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.744 ' HG3' HD12 ' A' ' 43' ' ' LEU . 1.3 mp0 -68.77 -49.52 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -67.68 -21.65 65.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -66.05 -51.48 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.9 t -58.42 -53.44 46.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -57.4 -33.94 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.785 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.56 HD21 ' HA ' ' A' ' 70' ' ' PHE . 34.6 tp -73.52 -48.32 34.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.467 HG21 ' HB3' ' A' ' 8' ' ' PRO . 33.8 p -113.66 47.01 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -77.56 -55.39 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.63 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -73.91 -16.65 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.04 -170.1 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.39 122.55 34.01 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HB3' HG21 ' A' ' 3' ' ' THR . 53.5 Cg_endo -69.73 -11.99 32.02 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -90.22 15.54 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.29 -34.5 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.649 HG21 ' CG ' ' A' ' 70' ' ' PHE . 7.4 mt -67.15 -28.06 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.94 -32.52 69.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 -25.89 67.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.37 -46.11 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.826 HD11 ' HB2' ' A' ' 70' ' ' PHE . 83.8 mt -55.84 -24.92 39.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -91.76 -56.23 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -54.35 -41.36 69.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 m -99.15 20.93 12.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -55.54 -26.04 41.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.6 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -65.07 161.09 51.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.5 Cg_endo -69.77 148.72 65.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.93 32.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -117.68 -21.76 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 67' ' ' LEU . 26.0 t80 -95.44 145.57 25.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.0 m -160.66 154.02 18.45 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.676 0.751 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -24.6 29.73 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.51 27.86 3.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -134.68 -40.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HA ' HD12 ' A' ' 32' ' ' ILE . 1.5 p90 -85.83 -10.28 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.514 ' HB2' HG13 ' A' ' 106' ' ' VAL . 14.4 p90 -55.42 -32.49 62.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -88.92 -25.12 22.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 29' ' ' PHE . 15.9 mt -79.01 -63.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.0 p -55.52 -58.86 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.5 41.01 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.581 ' HB3' HG11 ' A' ' 106' ' ' VAL . 27.0 mtm -94.6 -25.71 16.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.7 p -54.17 -33.01 56.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -66.78 -27.21 67.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HD3' ' HB2' ' A' ' 42' ' ' GLN . 7.5 mmpt? -50.61 171.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 p -148.6 34.22 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.3 t 65.79 12.63 8.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -111.31 -10.72 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.528 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.2 mp0 -117.49 -26.96 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 103' ' ' GLN . 8.8 mt -49.45 -39.97 35.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -12.62 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 17.3 tp10 -57.39 -46.11 83.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.63 HD11 HG21 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -86.38 -23.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' ILE . 30.4 p90 37.02 46.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HG2' HG22 ' A' ' 46' ' ' ILE . 5.1 ptp180 -146.87 10.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -124.89 -3.69 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD22 ' CD1' ' A' ' 102' ' ' PHE . 3.1 mt -115.3 -66.84 1.04 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.97 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.484 ' OD2' HD11 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -146.68 139.79 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.838 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -104.32 20.06 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -106.52 -46.01 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 55.25 25.06 6.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -87.58 -25.97 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.02 -61.72 0.28 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -123.01 -169.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.484 HD11 ' OD2' ' A' ' 51' ' ' ASP . 14.8 mt -128.73 153.45 38.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -133.09 164.43 27.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.94 -21.93 59.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -78.07 -5.62 52.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -116.96 16.32 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 HD23 ' A' ' 86' ' ' LEU . 27.6 mt -108.4 -47.11 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' HG3' HG21 ' A' ' 82' ' ' THR . 9.7 mtpt -57.37 167.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 60.05 22.0 11.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' HD1' HD23 ' A' ' 67' ' ' LEU . 38.2 t80 -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.538 HD23 ' HD1' ' A' ' 66' ' ' PHE . 17.0 mt -50.98 -29.8 13.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.597 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 1.2 tt0 -52.11 -28.84 19.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -63.14 -70.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.826 ' HB2' HD11 ' A' ' 15' ' ' LEU . 61.6 m-85 -66.85 -54.8 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -47.58 162.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.4 t -66.14 -45.46 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.19 59.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 68' ' ' GLN . . . -59.76 -177.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.116 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 -71.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -146.76 163.88 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 81' ' ' GLU . 0.5 OUTLIER -103.91 -175.54 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.7 p -105.47 -179.81 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.05 2.85 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -107.36 -47.05 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 84' ' ' THR . 5.0 mm-40 -62.9 -47.88 81.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.546 HG21 ' HG3' ' A' ' 64' ' ' LYS . 33.3 p -72.16 -36.29 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.742 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 23.8 ttpp -59.03 -23.47 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 81' ' ' GLU . 12.8 t -104.44 31.3 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.27 -47.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.784 HD23 HD21 ' A' ' 63' ' ' LEU . 4.2 pp -117.48 -22.94 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 83' ' ' LYS . . . -82.42 -18.98 39.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.03 13.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -51.58 -42.72 62.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -152.51 167.46 28.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -135.32 28.23 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -54.92 -30.73 59.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.57 -72.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -125.73 -1.21 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.37 16.4 16.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 111.94 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.315 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 101' ' ' GLU . 19.2 mm -76.74 155.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.16 55.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.94 28.28 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -136.63 -37.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 97' ' ' ILE . 20.8 mm-40 -75.91 -57.72 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CD1' HD22 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -52.75 -37.17 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.657 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.3 mp0 -73.78 -60.21 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -52.14 -29.19 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.56 ' CE ' ' HB2' ' A' ' 89' ' ' ALA . 30.8 ttm -65.39 -69.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 35' ' ' MET . 20.6 t -58.13 -36.76 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -56.52 -31.75 64.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.79 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.634 ' OG ' HG23 ' A' ' 46' ' ' ILE . 2.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.911 0.386 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.645 HD21 ' CD1' ' A' ' 70' ' ' PHE . 1.3 tt -163.16 -52.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.572 ' CG2' HD23 ' A' ' 2' ' ' LEU . 8.3 p -103.72 5.61 36.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.23 -75.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.658 HG21 HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -67.08 -24.81 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.754 HD11 ' HG2' ' A' ' 35' ' ' MET . 0.1 OUTLIER -98.03 -170.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 t -112.66 120.09 41.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.729 0.776 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -18.19 37.12 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 p -95.08 26.37 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.27 -35.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.4 HG21 ' CD1' ' A' ' 70' ' ' PHE . 18.9 mt -57.93 -36.04 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.85 70.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.26 -15.97 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.618 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . . . -98.39 -46.68 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.677 ' CD2' HD22 ' A' ' 67' ' ' LEU . 96.2 mt -57.88 -19.66 31.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -99.53 -41.85 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -54.39 -45.56 72.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 p -117.72 38.34 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.77 -16.7 59.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -73.13 159.77 84.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.642 0.734 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.71 137.05 34.68 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.24 19.58 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.0 t -108.98 -21.79 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -95.33 144.18 26.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -155.28 160.27 31.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.707 0.765 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -38.59 7.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -92.23 34.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -138.41 -40.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HA ' HD12 ' A' ' 32' ' ' ILE . 2.0 p90 -83.88 -14.7 50.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' HB2' HG13 ' A' ' 106' ' ' VAL . 12.1 p90 -54.16 -27.51 34.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -89.62 -29.95 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 29' ' ' PHE . 6.8 mt -79.08 -65.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.44 ' OG ' HD22 ' A' ' 6' ' ' LEU . 33.2 t -51.47 -38.24 52.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.15 44.61 1.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.754 ' HG2' HD11 ' A' ' 6' ' ' LEU . 9.5 mtm -99.32 -18.41 17.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -54.16 -33.03 56.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -66.14 -26.68 67.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -56.2 -177.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -166.04 41.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 p 61.43 18.83 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -120.01 -6.17 10.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.12 -15.81 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.688 ' O ' HD11 ' A' ' 49' ' ' ILE . 6.3 mt -59.68 -58.96 6.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -16.26 62.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 42' ' ' GLN . 22.5 tp10 -50.29 -46.97 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.658 HD11 HG21 ' A' ' 5' ' ' ILE . 3.5 mp -83.76 -21.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 36.6 p90 38.99 38.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HB2' HG22 ' A' ' 46' ' ' ILE . 7.6 mmm180 -140.55 13.81 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.706 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -132.44 4.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.7 -67.9 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -139.16 103.88 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.63 -15.5 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -81.79 -40.38 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 53.66 27.52 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -77.1 -25.29 52.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.16 -16.44 1.02 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -163.43 -168.4 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.572 HD12 HG13 ' A' ' 97' ' ' ILE . 20.4 mt -128.47 154.27 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -137.0 165.36 26.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -57.71 -20.98 38.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.07 -4.57 42.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -124.95 25.7 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.726 HD21 HD23 ' A' ' 86' ' ' LEU . 38.6 mt -117.1 -26.47 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -83.69 3.69 31.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -121.22 44.36 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -91.67 -70.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 15' ' ' LEU . 21.0 mt -53.87 -24.63 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.608 ' N ' ' HB3' ' A' ' 74' ' ' ALA . 2.1 tt0 -50.06 -26.63 4.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -84.76 -70.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.645 ' CD1' HD21 ' A' ' 2' ' ' LEU . 85.4 m-85 -50.24 -64.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -57.86 -30.93 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 t 65.3 14.11 9.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.1 19.79 0.48 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.608 ' HB3' ' N ' ' A' ' 68' ' ' GLN . . . -79.49 126.06 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -74.68 -81.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -149.61 117.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -53.99 175.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -175.95 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.82 -12.33 36.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.05 -46.15 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.05 -55.84 18.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.563 ' O ' HD13 ' A' ' 63' ' ' LEU . 60.4 p -54.87 -36.33 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 55.4 tttt -58.05 -42.72 86.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.0 t -90.69 42.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.411 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.74 -53.51 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.726 HD23 HD21 ' A' ' 63' ' ' LEU . 4.1 pp -118.85 -20.17 8.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.618 ' N ' HD12 ' A' ' 86' ' ' LEU . . . -86.37 2.39 47.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.1 -10.34 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 101' ' ' GLU . . . -60.94 -67.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -162.21 176.06 11.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -121.62 36.19 4.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -53.9 -35.83 62.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.7 -59.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.04 26.0 1.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.49 17.08 68.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -66.19 101.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.572 HG13 HD12 ' A' ' 58' ' ' ILE . 38.6 mm -61.51 148.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.4 50.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.527 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 51.6 50.8 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.26 -36.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 24.2 mt-10 -76.23 -31.02 58.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -86.48 -35.46 19.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.676 ' HG3' HD12 ' A' ' 43' ' ' LEU . 3.4 mp0 -64.69 -37.92 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.49 -25.54 54.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 3.1 ttp -67.01 -28.57 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 30' ' ' PHE . 38.6 t -87.52 -53.76 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -52.63 -45.15 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.753 . . . . . . . . 0 0 . 1 stop_ save_