data_1soh_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 1soh _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 ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.872 0.368 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.0 m -60.47 -36.89 79.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.75 -53.23 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.037 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.1 -34.51 63.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 ttpt -55.2 -25.74 34.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.752 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.85 -24.95 48.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 -53.53 3.87 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -58.07 -20.51 40.02 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 120.995 0.426 . . . . 0.0 110.241 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 t -95.1 -20.4 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.656 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.9 p -67.85 -13.11 61.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.736 0.303 . . . . 0.0 111.224 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 -5.86 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.998 0.428 . . . . 0.0 110.075 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -91.98 -23.98 19.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.471 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -82.39 -23.6 34.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.491 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.32 -47.47 19.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.76 -28.01 5.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.303 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -86.7 -30.27 21.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.523 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.3 p -68.75 -28.71 67.05 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.576 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.36 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.71 -55.84 2.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.533 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.64 -20.85 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.578 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 mt . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -43.4 -30.88 0.58 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.951 0.405 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.9 m -107.89 -23.37 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.739 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.01 -36.56 64.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.49 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -31.56 70.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.75 -36.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.38 -29.63 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.1 m -78.14 -25.88 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 179.831 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.96 0.41 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -70.61 -27.53 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.1 pt20 -61.16 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.26 -35.03 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -55.69 -25.48 40.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.756 178.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.68 -23.31 45.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -53.85 3.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -60.0 -19.0 50.1 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.973 0.416 . . . . 0.0 110.461 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -108.03 -7.76 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.119 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -18.5 59.05 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.311 . . . . 0.0 111.239 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 0.0 109.992 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -90.9 -26.61 19.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.382 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -84.7 -21.47 30.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.381 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 -45.48 19.37 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.108 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.26 -30.08 10.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.213 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -30.06 24.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.223 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -65.93 -31.55 72.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.603 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.75 8.25 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.438 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.8 -50.39 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.621 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.95 -22.79 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.759 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 t30 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.584 179.684 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt . . . . . 0 CA--C 1.527 0.074 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.95 -31.5 0.35 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 -26.0 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.671 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.15 -38.07 72.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.53 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.42 -34.44 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -32.39 69.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.7 m -76.71 -26.31 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.828 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -67.35 -34.7 77.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -61.68 -51.34 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.03 -35.8 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.807 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -57.64 -25.77 60.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.865 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.33 0.16 50.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.462 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -53.91 1.97 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.8 -21.67 20.61 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -105.01 -23.2 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.429 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -90.83 -2.33 57.78 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.07 -10.55 12.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.417 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -92.77 -34.04 14.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.48 -22.75 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.188 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -82.02 -41.41 20.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.702 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.34 -29.2 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.238 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.14 -33.02 19.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.786 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 p -72.99 -26.34 61.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.668 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.45 22.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.332 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.67 -55.85 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.619 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -20.26 59.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 179.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.2 mt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.545 0.212 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -42.8 -31.27 0.47 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.61 -25.55 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.771 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.22 -36.96 69.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.2 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.5 t -83.31 -43.3 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.51 -27.84 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.76 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -23.05 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.888 0.375 . . . . 0.0 110.725 179.836 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.849 0.356 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -75.5 -29.07 59.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.99 -51.62 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.108 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.58 -36.03 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 15.3 mtpt -55.94 -25.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -79.28 -18.48 52.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.259 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.2 -53.6 2.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -58.13 -20.73 42.73 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -99.08 -20.75 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -86.89 -3.53 59.08 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.03 -7.25 11.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.385 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -93.63 -31.81 14.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -85.77 -21.37 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.381 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -82.88 -42.22 18.01 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.168 0.509 . . . . 0.0 109.881 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.54 15.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.351 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -90.78 -28.56 18.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.669 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.19 -25.89 55.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.726 0.298 . . . . 0.0 110.804 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.17 22.67 12.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.57 -57.81 2.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.864 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.64 -22.06 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.762 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.581 0.229 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.96 0.8 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.93 0.395 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 m -103.81 -25.83 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.608 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.03 -37.97 72.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -64.65 -31.37 72.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.461 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.89 -44.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -25.78 63.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.5 m -77.62 -24.58 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.723 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.827 0.346 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -74.89 -29.05 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.33 -51.94 65.64 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.114 179.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.08 -35.2 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.42 -25.95 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.754 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -77.92 -23.39 48.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.177 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -54.0 3.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -61.0 -18.55 58.31 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.45 0.38 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.109 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -20.84 57.81 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -95.91 -15.47 22.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.002 0.429 . . . . 0.0 110.088 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -92.4 -26.78 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.3 -22.7 28.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.304 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -78.97 -45.29 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.51 . . . . 0.0 110.156 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.38 -28.73 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.268 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -29.31 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.543 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.6 p -71.32 -30.74 66.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.758 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 18.76 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.61 -50.24 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.607 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -22.67 62.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.794 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.689 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 mm . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.601 0.239 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -44.6 -30.0 0.83 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.937 0.399 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 -23.97 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.873 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.17 -36.13 64.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.458 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.41 -31.57 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.0 t -85.34 -41.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.57 -27.55 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.5 m -78.91 -29.59 44.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.838 0.351 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -69.33 -28.94 66.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -62.24 -53.01 61.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.85 -34.99 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.4 -25.61 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.807 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.46 -23.11 46.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.156 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -53.37 3.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -59.27 -19.31 44.91 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.012 0.434 . . . . 0.0 110.485 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -104.5 -12.4 16.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.988 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -19.09 61.77 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.48 -13.31 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.001 0.429 . . . . 0.0 109.981 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.9 t-105 -90.34 -24.77 20.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.392 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -21.92 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.569 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 t -78.1 -46.9 19.48 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.84 -28.86 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.22 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.77 -30.06 24.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.059 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 m -62.8 -32.71 73.94 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.81 19.96 16.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.93 -43.49 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.393 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -68.32 -21.21 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.523 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.9 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.521 0.2 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -44.82 -30.48 0.98 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 m -109.06 -22.68 12.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.847 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -74.84 -36.27 62.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -67.12 -32.61 73.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.47 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.08 -41.77 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.58 -27.71 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.849 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -24.18 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 179.864 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.933 0.397 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -71.64 -28.82 64.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.529 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -63.88 -50.98 66.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.092 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -62.38 -36.09 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.9 mtpm? -55.49 -25.79 38.93 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.906 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -24.52 44.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.97 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.29 -54.25 3.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.1 pp -61.17 -18.7 59.53 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.965 0.412 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -114.7 -0.62 13.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.123 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -19.88 56.52 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 120.732 0.301 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -13.85 20.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.182 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -93.52 -26.29 17.22 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -87.18 -23.16 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.368 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.25 -43.21 21.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.027 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.59 -27.53 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.324 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -89.64 -29.1 19.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.7 p -79.69 -29.67 40.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.772 0.32 . . . . 0.0 110.781 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.73 8.19 37.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.487 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.91 -56.75 3.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.5 -21.46 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.598 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.0 mt . . . . . 0 CA--C 1.527 0.093 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -44.2 -30.8 0.84 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.873 0.368 . . . . 0.0 111.062 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 m -108.71 -22.56 12.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.808 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -74.82 -36.27 62.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.859 0.361 . . . . 0.0 110.525 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -31.15 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.661 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.1 t -88.33 -38.81 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.47 -27.94 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -79.27 -23.82 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.846 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.818 0.342 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -77.39 -30.49 53.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -64.76 -50.38 67.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.098 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.82 -35.64 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 11.8 mtpp -56.75 -25.31 54.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.041 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -15.47 56.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.33 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 -53.49 2.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -57.82 -20.3 34.94 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.067 0.46 . . . . 0.0 110.21 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -101.77 -20.64 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.693 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -97.99 -6.23 32.45 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.706 0.289 . . . . 0.0 111.301 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.11 -4.87 10.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.419 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -95.68 -30.63 13.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -85.85 -21.76 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.421 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -83.95 -43.07 15.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.019 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.16 -27.12 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.246 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.52 -25.59 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.448 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.3 m -77.2 -27.84 53.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.65 9.26 25.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.677 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.5 -53.18 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.633 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.23 -19.01 62.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.853 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.765 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.515 0.198 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -31.3 0.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.5 m -107.18 -23.81 12.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.31 -37.12 66.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.541 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -68.41 -31.96 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -88.79 -37.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.76 -29.3 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.0 m -78.57 -23.53 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.734 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.933 0.397 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -75.4 -28.59 59.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.628 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -62.4 -51.05 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.106 179.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.04 -35.63 69.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 10.9 tttp -55.79 -26.32 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.841 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -22.46 46.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.069 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -96.05 -54.01 3.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.852 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -60.51 -18.26 50.78 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.939 0.4 . . . . 0.0 110.532 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -110.71 -7.49 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.149 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -66.24 -14.61 62.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.716 0.293 . . . . 0.0 111.454 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 22' ' ' LEU . 10.4 p90 -105.28 -10.85 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 110.162 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -93.38 -27.11 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.61 -21.05 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.395 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -80.96 -44.12 18.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.102 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.17 -28.61 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.335 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -90.84 -27.22 18.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.433 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.0 m -75.76 -27.66 58.16 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.59 21.73 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.0 -50.72 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.774 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -61.69 -19.79 62.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.002 0.43 . . . . 0.0 110.757 179.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.493 0.187 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -44.65 -30.27 0.89 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.916 0.389 . . . . 0.0 111.018 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 m -106.86 -23.59 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.69 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.434 ' HA ' ' CD2' ' A' ' 72' ' ' LEU . 1.3 t0 -74.38 -37.14 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.55 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.56 -26.84 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.371 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -85.08 -47.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 69' ' ' ASP . 3.1 pp -63.39 -24.17 67.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.4 m -76.51 -27.54 56.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.493 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.592 179.674 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 m -74.03 -31.41 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.05 -52.39 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.17 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.48 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.18 -35.34 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 23.6 tttt -56.19 -24.9 44.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.989 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.92 -17.69 55.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.432 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -53.27 2.68 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -59.89 -18.99 48.8 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.926 0.394 . . . . 0.0 110.291 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -108.37 -12.27 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.082 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -19.27 58.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.694 0.283 . . . . 0.0 111.176 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -100.13 -13.0 19.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 0.0 110.138 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -92.19 -24.38 19.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.41 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.29 -21.43 29.0 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 t -79.16 -46.18 18.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.92 -28.42 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -88.68 -27.93 20.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.204 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 83.2 m -69.25 -30.12 68.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.93 10.3 41.27 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.69 -36.22 6.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.342 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -75.55 -19.67 59.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.566 179.746 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.507 0.194 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -31.81 0.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.7 m -100.62 -27.97 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.682 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.96 -37.37 72.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.48 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -66.66 -30.01 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.56 -41.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.23 -28.29 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 m -77.45 -21.94 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.7 t . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.737 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -74.21 -31.34 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -63.24 -51.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.109 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.39 -35.21 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 mttt -55.95 -25.45 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.979 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -21.2 46.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.16 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -53.61 3.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -58.62 -20.42 47.33 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.038 0.447 . . . . 0.0 110.189 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -100.53 -18.68 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.616 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -70.37 -12.61 61.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.679 0.276 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.67 -14.32 16.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.918 0.39 . . . . 0.0 110.001 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -90.66 -28.41 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.459 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -20.43 31.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.53 -45.34 17.6 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.298 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.95 -28.49 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.239 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -88.28 -28.23 21.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.202 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 m -69.33 -31.35 69.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.85 7.98 44.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.546 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -51.88 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -60.42 -21.7 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.761 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.568 179.602 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.55 0.214 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -30.12 1.12 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -107.76 -24.23 11.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -36.1 65.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.54 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -30.09 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.549 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.6 t -86.01 -41.7 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.03 -28.08 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.1 m -77.9 -24.26 48.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.725 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.963 0.411 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -71.81 -26.99 62.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.661 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -62.49 -51.76 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.115 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.63 -35.61 68.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -25.71 46.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.03 -20.47 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.199 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.54 -53.83 3.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.98 -19.47 43.7 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.97 0.414 . . . . 0.0 110.391 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 m -104.53 -14.25 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.995 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -11.19 60.61 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.763 0.316 . . . . 0.0 111.247 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -103.07 -14.56 16.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 110.102 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -91.14 -29.51 17.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -21.18 30.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.352 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.15 -44.48 19.8 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.03 -30.34 15.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.262 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -88.29 -28.52 21.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.315 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.5 m -72.62 -30.41 64.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.71 20.82 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.55 -54.76 3.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.03 -24.04 22.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.574 0.226 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.7 -31.95 0.34 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.873 0.368 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 m -102.39 -26.71 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -37.73 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.411 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.58 -44.5 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.63 -28.44 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.774 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -77.89 -24.61 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.0 t . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.791 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.828 0.346 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -74.55 -28.08 60.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.739 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -62.92 -51.54 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.139 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.9 -35.18 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -55.54 -25.45 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.012 179.039 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -22.73 40.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.018 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.77 -53.11 3.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.801 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -58.94 -19.73 45.55 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.065 0.459 . . . . 0.0 110.241 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -98.88 -17.46 18.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.717 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 p -61.62 -18.79 60.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.684 0.278 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -97.78 -14.94 20.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -90.91 -25.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.336 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.42 -20.45 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.46 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.09 -45.55 18.05 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.301 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -29.77 16.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.266 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -87.63 -28.25 21.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.259 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.3 m -69.46 -30.02 67.83 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.708 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.29 6.99 47.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.26 -51.66 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.458 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -20.33 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.671 179.767 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.8 mm . . . . . 0 C--O 1.231 0.117 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.91 -31.55 0.52 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 m -108.92 -22.36 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.777 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -73.65 -37.36 65.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.612 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -32.41 72.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.79 -37.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.75 -28.06 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -78.72 -25.36 44.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 179.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.687 0.28 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -67.82 -36.09 79.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.74 -52.58 62.67 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.82 -35.18 66.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.51 -25.72 38.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.83 -21.89 50.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.26 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.23 -53.86 3.12 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -57.34 -21.23 34.1 Favored 'General case' 0 N--CA 1.458 -0.046 0 CA-C-O 121.133 0.492 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -95.73 -22.57 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.49 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -80.61 -8.29 59.56 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.812 0.339 . . . . 0.0 111.071 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.29 -6.17 11.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.064 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -91.41 -27.23 18.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.638 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.07 -23.31 30.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.66 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -81.67 -40.53 22.71 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.031 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' A' ' 33' ' ' ALA . . . -53.52 -27.67 26.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.91 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.88 -28.06 44.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.741 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.7 m -53.26 -39.2 63.69 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.739 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -177.98 36.39 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.717 0.294 . . . . 0.0 111.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 29' ' ' ALA . . . -119.68 -37.11 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.524 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -77.47 -14.0 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 179.788 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 mt . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.58 0.228 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -41.63 -32.03 0.33 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.4 m -101.0 -28.11 12.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -69.85 -38.17 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.429 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.95 -29.38 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.615 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.24 -40.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -29.22 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -22.76 51.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.729 179.804 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -73.51 -34.07 65.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -61.36 -51.67 67.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.068 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.24 -35.57 69.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -54.99 -25.88 32.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.768 178.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.36 -25.55 39.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.111 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -51.44 5.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.991 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pp -58.9 -17.44 24.28 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.933 0.397 . . . . 0.0 110.488 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 m -105.28 -11.84 16.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.141 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.5 p -68.07 -11.53 59.2 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.633 0.254 . . . . 0.0 111.634 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -110.47 -7.98 14.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 110.326 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -94.64 -27.52 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -87.92 -22.98 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.29 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -80.91 -42.41 21.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.987 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.09 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.334 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.25 -26.67 22.22 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.742 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.7 p -77.86 -31.17 51.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.71 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.583 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.16 -51.0 5.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.739 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.53 61.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 179.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.2 mm . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.53 0.205 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.94 -31.37 0.33 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.824 0.345 . . . . 0.0 111.226 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 m -104.36 -25.48 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.48 -36.28 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.452 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -31.52 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.9 t -79.54 -41.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.24 -30.12 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -80.02 -21.61 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.9 t . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.691 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -68.2 -24.77 64.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -59.82 -50.83 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.231 179.705 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.452 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -61.22 -37.32 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 29.8 mmtt -55.97 -25.48 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.833 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.26 -20.68 43.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.148 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.42 -52.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pp -57.63 -20.07 30.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.29 -17.05 16.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.854 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.5 t -77.08 -6.6 53.41 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.205 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.57 -14.32 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.204 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -90.74 -32.35 16.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.03 -20.79 34.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.356 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -79.91 -44.82 19.69 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.0 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.41 -32.24 11.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.21 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -88.28 -29.39 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.336 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.5 m -74.09 -28.82 61.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.2 22.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.341 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.43 -50.51 4.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.624 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -20.94 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.689 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.597 179.725 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 66' ' ' ILE . 10.3 mm . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.487 0.184 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.32 -31.82 0.26 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -103.94 -25.72 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.736 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.9 -36.8 67.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.504 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.61 -31.79 71.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.634 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -88.88 -36.85 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.81 -29.97 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.9 m -77.54 -24.05 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.729 179.756 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.935 0.398 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 m -71.48 -28.92 64.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.719 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.18 -52.62 63.07 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.14 -35.05 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -55.19 -25.55 33.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.831 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -76.61 -25.06 53.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.046 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.78 -54.36 3.37 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.8 pp -61.02 -19.0 60.81 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.922 0.391 . . . . 0.0 110.389 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.04 4.45 12.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.124 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -22.19 58.9 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.758 0.313 . . . . 0.0 111.201 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.44 -13.6 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 109.983 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 6.4 t-105 -91.66 -25.49 19.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.263 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -82.93 -23.35 33.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.399 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.08 -47.21 21.14 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.168 0.509 . . . . 0.0 110.295 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.96 -28.31 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.221 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.13 -30.01 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.6 p -69.58 -29.64 67.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.804 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.45 9.0 35.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.84 -52.4 4.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 0.0 110.669 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -22.47 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.608 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 mt . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.617 0.246 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.412 ' CE2' ' OG1' ' A' ' 68' ' ' THR . 40.1 p90 -45.14 -29.91 1.03 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.885 0.374 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.412 ' OG1' ' CE2' ' A' ' 67' ' ' PHE . 86.6 m -108.07 -24.07 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.673 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.99 -36.11 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.903 0.382 . . . . 0.0 110.463 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -32.02 73.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.339 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.73 -45.91 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.19 -26.01 68.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.709 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 m -78.21 -23.73 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.658 179.851 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.745 0.307 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -71.76 -32.16 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.3 pt20 -60.7 -52.48 64.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.8 0.333 . . . . 0.0 110.172 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.97 -35.05 66.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.62 -25.42 38.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.8 178.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.36 -22.85 51.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.113 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 -54.26 3.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.95 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.7 pp -60.82 -18.98 58.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.42 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.88 -1.39 13.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.215 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -20.8 58.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 111.24 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.63 -15.72 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 110.094 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -92.28 -26.46 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.306 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -85.94 -20.4 29.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.288 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -80.62 -45.65 16.93 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.165 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.51 -26.84 14.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.364 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -92.65 -27.03 17.55 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.608 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.27 -26.11 42.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.79 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.62 7.0 42.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.51 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.51 -36.89 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -20.09 60.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.519 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 mm . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.435 0.16 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.78 -31.05 0.44 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -106.94 -23.87 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.861 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.0 -36.39 64.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 0.0 110.544 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.11 -30.31 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.725 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.61 -39.88 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.27 -28.28 67.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -78.15 -23.24 47.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.76 179.8 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.514 0.197 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -74.11 -25.43 59.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 110.402 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.94 -27.69 57.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.754 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.0 m -60.47 -36.89 79.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.75 -53.23 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.037 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.1 -34.51 63.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 ttpt -55.2 -25.74 34.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.752 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.85 -24.95 48.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 -53.53 3.87 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -58.07 -20.51 40.02 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 120.995 0.426 . . . . 0.0 110.241 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 t -95.1 -20.4 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.656 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.9 p -67.85 -13.11 61.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.736 0.303 . . . . 0.0 111.224 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 -5.86 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.998 0.428 . . . . 0.0 110.075 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -91.98 -23.98 19.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.471 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -82.39 -23.6 34.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.491 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.32 -47.47 19.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.76 -28.01 5.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.303 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -86.7 -30.27 21.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.523 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.3 p -68.75 -28.71 67.05 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.576 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.36 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.71 -55.84 2.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.533 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.64 -20.85 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -59.76 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.578 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -70.06 -36.01 74.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.695 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.75 -21.6 42.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.216 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -67.95 -32.85 73.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.734 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -93.63 15.05 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.1 41.15 32.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.812 0.339 . . . . 0.0 111.176 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 3.5 t80 42.8 32.68 0.41 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.284 0.564 . . . . 0.0 111.372 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -43.57 -49.36 18.64 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.066 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 42' ' ' LEU . 51.7 Cg_exo -38.99 -28.52 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.964 2.443 . . . . 0.0 113.961 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.42 25.68 0.08 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 ' HA ' ' HB2' ' A' ' 49' ' ' LEU . 7.5 p -76.12 -36.56 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.046 0.451 . . . . 0.0 110.055 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -19.01 61.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.353 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -118.22 16.83 14.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.297 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -155.23 -53.69 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.192 -0.203 . . . . 0.0 111.476 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 2.9 mp -88.82 42.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.269 0.557 . . . . 0.0 109.749 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 179.96 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.056 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -113.44 -34.26 5.65 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.645 0.259 . . . . 0.0 111.114 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.6 tt -91.02 15.42 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.12 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.23 -45.97 1.0 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.975 0.416 . . . . 0.0 110.552 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m 56.58 48.22 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt 55.05 20.92 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.9 t -53.78 -48.23 69.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 0.0 110.452 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.6 m -146.35 21.33 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.889 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.36 -46.93 25.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.065 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.67 -23.51 61.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.632 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -28.27 52.58 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -71.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m 59.59 7.72 1.09 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.352 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -42.55 -28.79 0.24 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.752 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -51.01 -26.78 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.2 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.88 -4.66 36.2 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.815 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 mt -112.31 -12.26 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 CA-C-N 116.945 0.373 . . . . 0.0 111.527 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -43.4 -30.88 0.58 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.951 0.405 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.9 m -107.89 -23.37 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.739 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -74.01 -36.56 64.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.49 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -31.56 70.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.75 -36.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.38 -29.63 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.1 m -78.14 -25.88 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.84 -31.23 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -23.47 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -175.4 113.93 0.14 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.696 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.22 -6.32 25.13 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.043 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 44.33 31.17 0.54 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.987 0.422 . . . . 0.0 111.429 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.855 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.687 0.279 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER 82.45 -44.33 0.14 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -80.07 -32.24 39.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.33 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -70.61 -27.53 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.1 pt20 -61.16 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.26 -35.03 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -55.69 -25.48 40.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.756 178.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.68 -23.31 45.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -53.85 3.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -60.0 -19.0 50.1 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.973 0.416 . . . . 0.0 110.461 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -108.03 -7.76 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.119 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -18.5 59.05 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.311 . . . . 0.0 111.239 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 0.0 109.992 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -90.9 -26.61 19.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.382 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -84.7 -21.47 30.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.381 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 -45.48 19.37 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.108 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.26 -30.08 10.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.213 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -30.06 24.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.223 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -65.93 -31.55 72.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.603 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.75 8.25 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.438 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.8 -50.39 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.621 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.95 -22.79 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.759 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -75.68 -64.48 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.584 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.75 -34.92 70.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.793 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 2.8 m-85 -58.78 -18.77 34.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -71.05 -29.19 65.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.78 24.07 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.414 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.9 p -108.39 -77.03 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -131.15 33.01 4.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.589 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp 57.19 104.42 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.102 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HG2' HG21 ' A' ' 45' ' ' VAL . 84.5 Cg_endo -87.69 -2.22 7.43 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.854 2.369 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 68.73 11.67 8.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.412 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 49' ' ' LEU . 2.2 t -74.61 -31.9 28.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.95 -25.8 68.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.555 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -105.27 -19.22 13.87 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.732 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -95.22 -47.87 6.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.79 -15.45 61.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.413 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.36 -28.14 12.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.601 0.238 . . . . 0.0 111.52 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.01 -23.52 15.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.718 0.294 . . . . 0.0 111.355 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.7 tp -88.27 14.18 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.221 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.421 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 0.2 OUTLIER -107.37 -48.31 3.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 110.507 179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 m 60.5 54.6 3.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.119 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mttm 58.04 20.18 6.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.421 ' HB2' ' CD2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -50.13 -43.15 51.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.011 0.434 . . . . 0.0 110.357 179.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.5 m -149.15 21.04 0.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.802 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.79 -42.03 35.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 -26.85 65.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.424 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -31.24 70.57 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.417 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.6 p -93.19 -72.62 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.722 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m 59.99 7.64 1.22 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.338 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -42.17 -29.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.923 0.392 . . . . 0.0 110.79 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -50.37 -26.78 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.172 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.21 -14.83 56.92 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.657 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mt -108.85 -14.76 9.84 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-N 116.896 0.348 . . . . 0.0 111.476 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.95 -31.5 0.35 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 -26.0 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.671 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.15 -38.07 72.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.53 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.42 -34.44 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -32.39 69.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.7 m -76.71 -26.31 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.6 t -57.87 -31.04 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.44 -23.86 41.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.428 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -170.51 112.84 0.43 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.34 -6.11 26.69 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.963 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 44.53 31.01 0.56 Allowed 'General case' 0 C--O 1.23 0.042 0 CA-C-O 120.969 0.414 . . . . 0.0 111.446 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.857 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.518 0.199 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -75.78 -23.9 55.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.868 0.365 . . . . 0.0 110.391 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.02 -29.3 32.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -67.35 -34.7 77.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -61.68 -51.34 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.03 -35.8 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.807 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -57.64 -25.77 60.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.865 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.33 0.16 50.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.462 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -53.91 1.97 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.8 -21.67 20.61 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -105.01 -23.2 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.429 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -90.83 -2.33 57.78 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.07 -10.55 12.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.417 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -92.77 -34.04 14.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.48 -22.75 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.188 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -82.02 -41.41 20.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.702 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.34 -29.2 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.238 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.14 -33.02 19.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.786 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 p -72.99 -26.34 61.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.668 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -113.45 22.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.332 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.67 -55.85 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.619 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -20.26 59.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -72.25 -60.51 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 8.5 mt -64.22 -44.22 92.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -56.8 -21.67 30.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.266 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.73 -50.09 22.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -98.91 30.86 3.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.7 m -149.48 -45.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.71 32.27 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tp -110.57 91.66 12.57 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -86.13 34.09 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.844 2.362 . . . . 0.0 112.763 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.96 6.42 4.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.564 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.8 p -62.64 -29.92 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.455 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -75.75 -22.9 56.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.664 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -121.78 28.89 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.616 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -163.51 -57.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 tp 48.51 32.68 3.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 67.96 28.62 6.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.987 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -116.98 -26.09 6.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.186 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.44 15.34 9.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.011 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -44.25 4.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.459 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.54 50.63 12.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 mttt 60.23 18.46 7.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -53.33 -46.9 69.66 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.062 0.458 . . . . 0.0 110.461 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -146.89 21.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.828 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.63 -40.97 32.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.488 . . . . 0.0 109.944 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.07 -21.88 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.692 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.3 mtm -79.06 -24.73 43.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.6 m -107.32 34.86 3.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.21 -14.04 15.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.983 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -45.92 -27.46 0.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.843 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.4 m -48.23 -27.78 2.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.413 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -108.62 -10.09 25.72 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.591 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.2 mt -101.84 -12.17 8.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.693 0.247 . . . . 0.0 111.368 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -42.8 -31.27 0.47 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.61 -25.55 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.771 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -72.22 -36.96 69.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -66.2 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.5 t -83.31 -43.3 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.51 -27.84 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.76 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -23.05 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.0 t -58.39 -30.8 41.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.888 0.375 . . . . 0.0 110.725 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -24.03 33.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.361 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -177.68 115.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.769 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.53 -8.8 24.2 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.064 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 44.12 31.18 0.51 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.903 0.382 . . . . 0.0 111.373 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.931 0.396 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -107.05 -38.29 6.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.302 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.47 -28.22 26.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.425 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -75.5 -29.07 59.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.99 -51.62 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.108 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.58 -36.03 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 15.3 mtpt -55.94 -25.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -79.28 -18.48 52.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.259 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.2 -53.6 2.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -58.13 -20.73 42.73 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -99.08 -20.75 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -86.89 -3.53 59.08 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.03 -7.25 11.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.385 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -93.63 -31.81 14.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -85.77 -21.37 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.381 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -82.88 -42.22 18.01 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.168 0.509 . . . . 0.0 109.881 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.91 -26.54 15.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.351 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -90.78 -28.56 18.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.669 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.19 -25.89 55.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.726 0.298 . . . . 0.0 110.804 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.17 22.67 12.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.57 -57.81 2.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.864 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.64 -22.06 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -77.32 -61.7 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.25 -35.46 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -68.89 -12.28 61.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.317 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -102.46 0.54 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.316 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -149.71 26.55 0.82 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.767 0.317 . . . . 0.0 111.174 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.3 m -130.38 -58.72 1.05 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.973 0.416 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -115.93 30.54 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 172.87 85.95 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.677 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.27 36.38 0.5 Allowed 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.927 2.418 . . . . 0.0 112.92 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.04 17.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.519 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -77.16 -34.17 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -68.16 -22.36 64.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.025 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.59 6.16 19.85 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.989 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -130.8 -47.25 1.04 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' VAL . 4.1 tt -77.98 -2.11 35.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.108 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.81 -18.46 11.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.501 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.32 -41.42 0.64 Allowed 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.93 14.33 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.635 0.255 . . . . 0.0 111.541 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.423 ' CE2' HG23 ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.11 -44.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.565 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 m 52.33 40.81 29.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.271 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? 52.77 21.73 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.699 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -56.94 -55.75 30.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.019 0.438 . . . . 0.0 110.23 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.423 HG23 ' CE2' ' A' ' 53' ' ' TYR . 7.0 t -132.13 17.45 4.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.256 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.71 -47.91 35.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.56 -17.59 55.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.343 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -21.47 22.08 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.9 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 p -92.28 17.0 10.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.344 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.55 -15.87 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 110.506 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -47.16 -27.3 1.39 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.56 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -26.99 3.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.359 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.48 -6.57 25.21 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.642 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.2 mt -106.02 -11.86 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 116.799 0.299 . . . . 0.0 111.279 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.96 0.8 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.93 0.395 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 m -103.81 -25.83 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.608 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.03 -37.97 72.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -64.65 -31.37 72.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.461 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.89 -44.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -25.78 63.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.5 m -77.62 -24.58 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -58.47 -30.77 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.723 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -23.59 40.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.447 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.51 110.58 2.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.551 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.92 -7.0 31.16 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.755 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 44.25 31.23 0.54 Allowed 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.894 0.378 . . . . 0.0 111.383 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.472 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.935 0.398 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.91 -36.22 5.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.273 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.81 -27.19 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.509 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -74.89 -29.05 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.33 -51.94 65.64 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.114 179.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.08 -35.2 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.42 -25.95 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.754 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -77.92 -23.39 48.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.177 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -54.0 3.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -61.0 -18.55 58.31 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.45 0.38 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.109 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -20.84 57.81 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -95.91 -15.47 22.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.002 0.429 . . . . 0.0 110.088 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -92.4 -26.78 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.3 -22.7 28.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.304 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -78.97 -45.29 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.51 . . . . 0.0 110.156 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.38 -28.73 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.268 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -29.31 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.543 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.6 p -71.32 -30.74 66.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.758 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 18.76 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.61 -50.24 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.607 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -22.67 62.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.794 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -76.61 -64.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -58.86 -32.08 69.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' HA ' ' CG2' ' A' ' 40' ' ' THR . 8.4 m-85 -69.88 -12.03 61.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.375 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -88.57 -29.38 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -98.97 15.41 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.346 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.401 ' CG2' ' HA ' ' A' ' 37' ' ' TYR . 15.3 t -131.57 -35.89 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.292 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -96.39 31.55 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.59 171.2 1.08 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.49 -10.1 17.94 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.699 2.266 . . . . 0.0 112.845 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.86 -6.92 50.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 0.0 111.456 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.46 -24.58 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.067 0.46 . . . . 0.0 110.036 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.34 -22.74 51.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.677 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -122.12 30.09 6.75 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -165.45 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.702 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 tt 46.57 40.02 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 62.39 32.66 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.834 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -109.0 -24.52 11.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 tp -89.01 14.92 9.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.089 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -106.33 -43.85 4.68 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.0 110.485 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t 48.55 34.22 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? 54.14 19.53 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.881 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -63.8 -64.05 1.0 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.176 0.512 . . . . 0.0 109.787 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.6 t -131.66 18.78 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.987 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 53' ' ' TYR . . . -75.37 -40.79 57.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.651 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.07 -22.33 49.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.627 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 ttp -84.3 -26.6 28.42 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.0 m -109.01 35.41 3.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.26 -15.65 15.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -46.45 -27.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.8 m -49.77 -27.06 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.46 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.35 0.42 20.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.698 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 mm -113.21 -10.74 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 116.827 0.314 . . . . 0.0 111.284 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -44.6 -30.0 0.83 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.937 0.399 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.41 -23.97 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.873 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.17 -36.13 64.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.458 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -67.41 -31.57 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.0 t -85.34 -41.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.57 -27.55 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.5 m -78.91 -29.59 44.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.7 t -57.96 -31.44 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.11 -24.23 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.29 114.95 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.7 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.18 -8.73 22.9 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.009 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 44.39 30.86 0.52 Allowed 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.851 0.358 . . . . 0.0 111.381 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.89 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.622 0.248 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -25.18 50.58 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.877 0.37 . . . . 0.0 110.333 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.42 -26.62 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.808 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -69.33 -28.94 66.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -62.24 -53.01 61.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.85 -34.99 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.4 -25.61 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.807 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.46 -23.11 46.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.156 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -53.37 3.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -59.27 -19.31 44.91 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.012 0.434 . . . . 0.0 110.485 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -104.5 -12.4 16.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.988 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -19.09 61.77 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.48 -13.31 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.001 0.429 . . . . 0.0 109.981 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.9 t-105 -90.34 -24.77 20.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.392 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -21.92 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.569 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 t -78.1 -46.9 19.48 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.84 -28.86 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.22 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.77 -30.06 24.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.059 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 m -62.8 -32.71 73.94 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.81 19.96 16.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.93 -43.49 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.393 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -68.32 -21.21 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.523 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -59.74 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.6 -42.26 98.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.758 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.07 -15.28 59.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.437 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -86.29 -18.69 31.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.62 14.42 29.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.443 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -175.66 -30.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.704 0.288 . . . . 0.0 111.5 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 40.6 t80 46.32 30.32 1.01 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.242 0.544 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mp -158.28 130.32 4.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.16 52.01 4.0 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.617 2.211 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 60.54 18.09 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.471 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.24 -30.81 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 0.0 110.571 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.93 -21.07 51.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.761 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -125.53 31.33 5.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.51 -61.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 49.11 29.64 2.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 66.31 32.9 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -113.15 -18.82 12.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.33 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.76 19.69 7.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 -49.38 1.75 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.956 0.408 . . . . 0.0 110.68 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m 58.59 52.19 7.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.966 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.8 tptt 55.46 21.79 4.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.0 t -55.25 -50.11 70.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.986 0.422 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -147.18 21.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.031 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.26 -38.04 27.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.098 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.96 -19.04 52.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.714 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -28.6 25.25 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m -106.43 33.54 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.73 -15.69 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -47.05 -28.18 1.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -50.88 -26.94 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.993 0.425 . . . . 0.0 110.363 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -117.7 2.97 17.66 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.497 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.9 mt -115.6 -9.86 12.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.706 0.253 . . . . 0.0 111.484 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -44.82 -30.48 0.98 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 m -109.06 -22.68 12.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.847 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -74.84 -36.27 62.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -67.12 -32.61 73.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.47 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.08 -41.77 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.58 -27.71 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.849 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -24.18 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.4 -30.85 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 mt -56.52 -23.61 40.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -175.02 114.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.748 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.24 -8.26 24.86 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.001 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 44.29 30.98 0.51 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.889 0.376 . . . . 0.0 111.418 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.94 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.475 0.179 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 67.84 15.33 9.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -112.28 -38.05 4.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -71.64 -28.82 64.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.529 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -63.88 -50.98 66.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.092 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -62.38 -36.09 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.9 mtpm? -55.49 -25.79 38.93 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.906 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -24.52 44.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.97 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.29 -54.25 3.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.1 pp -61.17 -18.7 59.53 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.965 0.412 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -114.7 -0.62 13.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.123 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -19.88 56.52 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 120.732 0.301 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -13.85 20.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.182 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -93.52 -26.29 17.22 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -87.18 -23.16 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.368 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.25 -43.21 21.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.027 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.59 -27.53 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.324 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -89.64 -29.1 19.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.7 p -79.69 -29.67 40.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.772 0.32 . . . . 0.0 110.781 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.73 8.19 37.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.487 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.91 -56.75 3.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.5 -21.46 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -61.27 2.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.598 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 pp -59.03 -37.23 76.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' CE1' ' CD1' ' A' ' 41' ' ' TYR . 0.7 OUTLIER -73.64 -8.12 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -97.73 -24.84 15.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.76 0.314 . . . . 0.0 111.194 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -128.55 13.76 6.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.634 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.97 11.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.46 ' CD1' ' CE1' ' A' ' 37' ' ' TYR . 1.2 t80 -142.9 31.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.885 0.374 . . . . 0.0 110.8 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 2.8 mp -134.51 -68.01 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.178 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 42' ' ' LEU . 72.9 Cg_endo -74.01 58.4 4.16 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.218 1.945 . . . . 0.0 112.324 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -169.12 30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.3 -23.25 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.586 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -85.29 -22.76 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.681 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 7.7 mm-40 -105.21 -29.2 10.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.889 0.376 . . . . 0.0 110.703 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.28 -60.64 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER 60.78 11.98 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.009 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER 164.23 -44.11 0.0 OUTLIER 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.966 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER 161.21 34.66 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.949 0.404 . . . . 0.0 110.61 -179.59 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 mt -78.7 5.41 11.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.415 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -94.52 -39.96 10.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.692 179.665 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 t 55.94 46.61 21.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp 57.09 19.14 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 t -57.2 -52.67 64.36 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.056 0.455 . . . . 0.0 110.364 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -149.39 22.72 0.93 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.86 -47.37 25.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.17 -19.0 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.863 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.0 ttt -89.46 -26.74 20.79 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.834 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.6 m -108.42 34.12 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.019 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.29 -16.7 16.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -46.85 -27.69 1.32 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 m -50.01 -26.37 4.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.73 -3.34 28.61 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.765 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.0 mt -112.59 -11.15 11.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-N 116.897 0.349 . . . . 0.0 111.461 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -44.2 -30.8 0.84 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.873 0.368 . . . . 0.0 111.062 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 m -108.71 -22.56 12.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.808 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -74.82 -36.27 62.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.859 0.361 . . . . 0.0 110.525 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -31.15 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.661 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.1 t -88.33 -38.81 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.47 -27.94 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -79.27 -23.82 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.05 -32.24 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tp -56.0 -25.01 42.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -177.49 115.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.832 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.73 -8.6 23.83 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.079 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 44.31 30.93 0.51 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 111.38 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.935 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.948 0.404 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.24 -35.84 5.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.327 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.63 -27.74 23.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.426 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -77.39 -30.49 53.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -64.76 -50.38 67.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.098 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.82 -35.64 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 11.8 mtpp -56.75 -25.31 54.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.041 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -15.47 56.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.33 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 -53.49 2.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -57.82 -20.3 34.94 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.067 0.46 . . . . 0.0 110.21 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -101.77 -20.64 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.693 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -97.99 -6.23 32.45 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.706 0.289 . . . . 0.0 111.301 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.11 -4.87 10.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.419 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -95.68 -30.63 13.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -85.85 -21.76 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.421 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -83.95 -43.07 15.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.019 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.16 -27.12 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.246 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.52 -25.59 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.448 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.3 m -77.2 -27.84 53.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.65 9.26 25.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.677 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -94.5 -53.18 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.633 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.23 -19.01 62.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.853 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -74.95 -59.29 2.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.765 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 HD11 ' CE1' ' A' ' 37' ' ' TYR . 3.7 pp -71.75 -38.17 70.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.419 ' CE1' HD11 ' A' ' 36' ' ' LEU . 19.8 m-85 -68.09 -10.17 51.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.602 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -93.92 -14.7 25.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.426 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -142.09 31.2 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.4 t -116.96 -55.42 2.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.739 0.304 . . . . 0.0 111.241 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.82 29.02 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.892 0.377 . . . . 0.0 111.452 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -157.99 106.26 1.74 Allowed Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.45 -49.06 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.315 2.01 . . . . 0.0 112.143 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.28 18.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.435 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -79.08 -31.13 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.9 -23.16 64.16 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.86 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -111.3 7.2 20.96 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.814 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -129.22 -45.93 1.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -56.66 -28.17 60.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.021 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -104.79 -34.58 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.61 -43.48 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 12.46 17.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.037 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.485 ' C ' ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -115.17 -31.14 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -75.32 20.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.251 0.548 . . . . 0.0 111.651 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 53' ' ' TYR . 1.9 tppt? -149.57 -15.83 0.28 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.432 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -85.49 -51.48 6.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 15.62 12.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.832 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.85 -54.48 5.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.66 -20.59 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.603 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 19.6 tpp -87.58 -29.9 20.92 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.913 0.387 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -78.38 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.963 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.5 m 59.85 6.56 0.92 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -41.1 -29.21 0.11 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -49.13 -28.31 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.036 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.72 -23.64 76.22 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.189 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.3 mt -109.72 -14.62 10.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.515 0.198 . . . . 0.0 111.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -31.3 0.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.5 m -107.18 -23.81 12.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -73.31 -37.12 66.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.541 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -68.41 -31.96 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -88.79 -37.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.76 -29.3 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.0 m -78.57 -23.53 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.28 -30.63 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.734 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.2 mt -55.57 -23.83 29.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.433 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.04 112.77 1.18 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.618 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.23 -8.25 28.88 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.873 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 44.16 31.2 0.52 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.884 0.373 . . . . 0.0 111.354 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.864 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.852 0.358 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.1 -36.13 5.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.31 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.6 -28.45 24.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.451 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -75.4 -28.59 59.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.628 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -62.4 -51.05 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.106 179.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.04 -35.63 69.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 10.9 tttp -55.79 -26.32 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.841 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -22.46 46.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.069 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -96.05 -54.01 3.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.852 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -60.51 -18.26 50.78 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.939 0.4 . . . . 0.0 110.532 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -110.71 -7.49 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.149 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -66.24 -14.61 62.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.716 0.293 . . . . 0.0 111.454 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 22' ' ' LEU . 10.4 p90 -105.28 -10.85 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 110.162 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -93.38 -27.11 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.61 -21.05 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.395 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -80.96 -44.12 18.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.102 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.17 -28.61 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.335 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -90.84 -27.22 18.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.433 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.0 m -75.76 -27.66 58.16 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.59 21.73 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.0 -50.72 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.774 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -61.69 -19.79 62.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -80.27 -62.24 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.002 0.43 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -64.23 -29.22 70.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' CE2' HD23 ' A' ' 42' ' ' LEU . 73.7 t80 -84.17 3.23 36.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.32 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -109.59 -23.36 11.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.647 0.26 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.48 30.65 1.72 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.304 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.63 -43.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.836 0.35 . . . . 0.0 111.257 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -111.73 32.79 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.063 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' CB ' ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -143.82 -57.18 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.428 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 42' ' ' LEU . 7.1 Cg_endo -87.09 46.19 1.39 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.786 2.324 . . . . 0.0 112.433 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.18 4.13 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.772 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 p -60.96 -33.54 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.015 0.436 . . . . 0.0 109.993 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -66.9 -23.84 66.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.937 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -87.5 -55.07 3.95 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.92 48.88 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.472 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.87 31.33 3.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 ptm85 179.7 -37.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -71.91 -32.21 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 tp -89.22 11.98 17.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.07 -37.36 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.451 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.4 m 54.99 40.64 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt 59.97 16.07 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.956 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 m -60.96 -55.99 26.45 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.973 0.416 . . . . 0.0 110.347 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 m -144.64 21.82 1.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.892 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.96 -36.86 30.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.156 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.56 -21.76 48.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.835 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.0 mtp -83.65 -25.61 30.61 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 m -112.37 37.24 3.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -15.98 14.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -46.63 -28.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.943 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 m -50.29 -26.61 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.437 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.28 1.37 20.73 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.672 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.8 mt -113.57 -11.76 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 116.801 0.3 . . . . 0.0 111.456 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -44.65 -30.27 0.89 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.916 0.389 . . . . 0.0 111.018 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 m -106.86 -23.59 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.69 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.434 ' HA ' ' CD2' ' A' ' 72' ' ' LEU . 1.3 t0 -74.38 -37.14 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.55 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.56 -26.84 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.371 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -85.08 -47.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 69' ' ' ASP . 3.1 pp -63.39 -24.17 67.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.4 m -76.51 -27.54 56.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.493 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.07 -37.08 71.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.592 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.5 mt -61.18 -20.2 62.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -162.57 107.16 1.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.144 0.497 . . . . 0.0 110.453 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.52 -7.13 18.2 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.448 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 44.22 31.33 0.54 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.927 0.394 . . . . 0.0 111.394 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.7 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.598 0.237 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -78.11 -25.49 47.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.838 0.352 . . . . 0.0 110.326 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.54 -27.41 22.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 m -74.03 -31.41 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.05 -52.39 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.17 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.48 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.18 -35.34 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 23.6 tttt -56.19 -24.9 44.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.989 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.92 -17.69 55.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.432 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -53.27 2.68 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -59.89 -18.99 48.8 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.926 0.394 . . . . 0.0 110.291 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -108.37 -12.27 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.082 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -19.27 58.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.694 0.283 . . . . 0.0 111.176 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -100.13 -13.0 19.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 0.0 110.138 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -92.19 -24.38 19.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.41 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.29 -21.43 29.0 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 t -79.16 -46.18 18.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.92 -28.42 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -88.68 -27.93 20.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.204 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 83.2 m -69.25 -30.12 68.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.93 10.3 41.27 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.69 -36.22 6.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.342 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -75.55 -19.67 59.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -76.58 -56.23 4.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.566 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mt -64.56 -44.12 91.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -64.61 -16.06 62.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.429 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.4 -28.67 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.4 29.99 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.71 -44.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -121.83 32.51 5.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.18 142.16 58.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -84.83 17.91 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.778 2.319 . . . . 0.0 112.829 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.58 -0.44 13.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.463 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 49' ' ' LEU . 2.8 t -62.79 -30.52 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.067 0.461 . . . . 0.0 109.867 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -70.1 -24.63 63.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.473 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -117.62 28.69 8.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.073 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 50' ' ' ARG . 2.2 tttt -160.83 -57.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.5 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 2.4 mt 64.4 -4.56 0.41 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.794 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' A' ' 48' ' ' LYS . 1.5 ptt180 162.05 -29.48 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 122.358 0.263 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 165.62 32.61 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.859 0.361 . . . . 0.0 110.816 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 tt -81.68 8.23 10.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.224 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.66 -66.16 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.9 m 55.92 49.89 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.59 17.28 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.946 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -53.78 -47.17 71.01 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.026 0.441 . . . . 0.0 110.385 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.4 m -144.42 20.89 1.71 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.718 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.25 -44.4 37.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.01 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.05 -25.56 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.715 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.0 mmt -84.85 -19.9 31.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.957 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -132.97 49.62 2.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.78 -15.71 20.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.076 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -46.37 -27.1 0.96 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.709 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -48.29 -27.6 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.35 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.02 -20.23 36.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.441 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.0 mt -98.33 -16.22 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.689 0.244 . . . . 0.0 111.32 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -31.81 0.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.7 m -100.62 -27.97 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.682 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.96 -37.37 72.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.48 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -66.66 -30.01 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.56 -41.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tt -60.23 -28.29 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 m -77.45 -21.94 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.67 -30.76 42.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.737 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 tt -55.22 -24.21 26.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.434 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.38 113.39 0.74 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.613 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.18 -7.17 28.87 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.926 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 44.44 31.07 0.55 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.913 0.387 . . . . 0.0 111.389 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.654 0.264 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -78.51 -24.44 45.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.411 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.41 -26.73 23.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.84 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -74.21 -31.34 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -63.24 -51.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.109 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.39 -35.21 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 mttt -55.95 -25.45 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.979 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -21.2 46.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.16 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -53.61 3.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -58.62 -20.42 47.33 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.038 0.447 . . . . 0.0 110.189 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -100.53 -18.68 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.616 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -70.37 -12.61 61.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.679 0.276 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.67 -14.32 16.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.918 0.39 . . . . 0.0 110.001 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -90.66 -28.41 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.459 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -20.43 31.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.53 -45.34 17.6 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.298 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.95 -28.49 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.239 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -88.28 -28.23 21.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.202 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 m -69.33 -31.35 69.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.85 7.98 44.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.546 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -51.88 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -60.42 -21.7 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.761 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -73.15 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.568 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 37' ' ' TYR . 3.3 pp -60.68 -41.82 95.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.789 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CD2' HD12 ' A' ' 36' ' ' LEU . 6.9 m-85 -61.7 -19.16 62.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.9 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.24 -38.8 78.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -104.37 27.7 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.2 m -113.33 -77.45 0.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.27 31.17 0.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.5 mp -155.0 100.55 2.33 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.1 4.17 7.0 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.617 2.212 . . . . 0.0 112.949 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.42 8.01 3.63 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 49' ' ' LEU . 8.4 p -59.94 -27.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 0.0 110.503 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.49 -15.14 57.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.652 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 3.4 pt-20 -133.13 28.89 4.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.878 0.371 . . . . 0.0 110.764 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' C ' ' H ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -176.94 -71.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.06 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 45' ' ' VAL . 2.9 tt 77.02 -37.18 0.27 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.69 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' A' ' 48' ' ' LYS . 1.5 ttt180 170.54 38.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.513 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 78.9 26.23 0.47 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.919 0.39 . . . . 0.0 110.656 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -87.9 8.73 24.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.027 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -93.43 -33.26 13.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.482 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -81.29 23.25 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.416 0.626 . . . . 0.0 111.181 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 53' ' ' TYR . 1.7 tttt -150.08 -19.32 0.25 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.015 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -88.23 -49.72 6.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.57 12.7 18.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.989 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.81 -48.9 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.47 -13.96 61.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.171 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 ttt -83.99 -23.97 30.77 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.787 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -94.73 24.22 4.85 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.245 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.92 -14.87 18.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 110.717 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -46.67 -26.76 0.98 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.644 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.4 m -48.73 -26.82 2.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.522 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.53 -7.34 28.09 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.802 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt -109.08 -9.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.808 0.304 . . . . 0.0 111.497 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -30.12 1.12 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -107.76 -24.23 11.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -36.1 65.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.54 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -30.09 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.549 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.6 t -86.01 -41.7 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.03 -28.08 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.1 m -77.9 -24.26 48.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.43 -30.97 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.725 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 mp -56.38 -23.54 38.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.507 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.42 115.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.752 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.87 -9.48 23.35 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.963 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 44.1 31.29 0.52 Allowed 'General case' 0 C--O 1.23 0.065 0 CA-C-O 120.898 0.38 . . . . 0.0 111.404 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 19.4 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.718 0.294 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.5 OUTLIER 82.71 -44.42 0.13 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.7 -33.1 35.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.963 0.411 . . . . 0.0 110.403 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -71.81 -26.99 62.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.661 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -62.49 -51.76 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.115 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.63 -35.61 68.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -25.71 46.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.03 -20.47 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.199 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.54 -53.83 3.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.98 -19.47 43.7 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.97 0.414 . . . . 0.0 110.391 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 m -104.53 -14.25 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.995 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -11.19 60.61 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.763 0.316 . . . . 0.0 111.247 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -103.07 -14.56 16.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 110.102 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -91.14 -29.51 17.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -21.18 30.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.352 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.15 -44.48 19.8 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.03 -30.34 15.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.262 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -88.29 -28.52 21.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.315 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.5 m -72.62 -30.41 64.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.71 20.82 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.55 -54.76 3.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.03 -24.04 22.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -62.52 1.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -56.62 -34.59 67.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.416 ' CE2' HD12 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -60.17 -19.1 52.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.117 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -31.99 70.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.56 16.55 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.2 t 44.67 42.81 6.15 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 111.499 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.424 ' CE1' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -105.12 28.25 7.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' CB ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -109.12 -53.19 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.514 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 42' ' ' LEU . 23.4 Cg_exo -64.59 -9.19 19.67 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.481 2.12 . . . . 0.0 112.996 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -123.34 4.41 9.11 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 6.8 p -69.06 -26.11 31.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.02 0.438 . . . . 0.0 110.574 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -81.33 -19.43 42.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.895 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -134.31 30.2 3.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.495 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -164.59 -58.13 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.136 -0.226 . . . . 0.0 111.425 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD13 ' CE1' ' A' ' 41' ' ' TYR . 11.6 tp -85.84 41.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.2 0.524 . . . . 0.0 109.904 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -26.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.797 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -110.01 -30.93 7.57 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.706 0.288 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 tt -90.8 16.37 9.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 0.2 OUTLIER -122.5 -49.92 2.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.795 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m 40.94 35.22 0.33 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.618 0.723 . . . . 0.0 110.522 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.86 -22.92 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.277 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.506 ' HB3' ' CG ' ' A' ' 53' ' ' TYR . 1.9 p -51.04 -51.45 53.05 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.218 0.532 . . . . 0.0 109.749 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.4 t -128.59 17.17 6.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.859 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.13 -43.71 70.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.586 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.31 -24.78 63.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.65 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -19.62 50.16 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.181 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.81 53.14 1.69 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.751 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -15.6 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -46.54 -27.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.795 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.4 m -49.29 -27.56 3.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.225 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.85 -8.76 25.66 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.573 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 mt -101.04 -14.47 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 116.756 0.278 . . . . 0.0 111.221 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.7 -31.95 0.34 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.873 0.368 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 m -102.39 -26.71 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.83 -37.73 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.411 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.58 -44.5 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.63 -28.44 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.774 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -77.89 -24.61 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.571 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 53.0 t -58.4 -29.41 38.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.791 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.63 24.28 5.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.998 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 163.62 92.35 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.376 0.607 . . . . 0.0 109.827 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.21 -12.11 24.11 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.571 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER -155.16 38.51 0.4 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.407 -0.397 . . . . 0.0 111.299 179.573 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' CA ' ' O ' ' A' ' 74' ' ' VAL . 6.6 tt0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.88 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.99 0.424 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.18 -37.66 5.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.271 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.99 -27.83 28.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.415 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -74.55 -28.08 60.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.739 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -62.92 -51.54 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.139 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.9 -35.18 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -55.54 -25.45 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.012 179.039 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -22.73 40.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.018 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.77 -53.11 3.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.801 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -58.94 -19.73 45.55 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.065 0.459 . . . . 0.0 110.241 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -98.88 -17.46 18.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.717 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 p -61.62 -18.79 60.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.684 0.278 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -97.78 -14.94 20.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -90.91 -25.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.336 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.42 -20.45 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.46 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.09 -45.55 18.05 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.301 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -29.77 16.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.266 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -87.63 -28.25 21.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.259 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.3 m -69.46 -30.02 67.83 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.708 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.29 6.99 47.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.26 -51.66 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.458 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -20.33 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -75.03 -62.16 1.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.671 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' CD1' ' CD1' ' A' ' 37' ' ' TYR . 3.5 pp -61.52 -39.48 91.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CD1' ' CD1' ' A' ' 36' ' ' LEU . 13.7 m-85 -70.2 -12.06 61.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.263 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -84.37 -28.02 27.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.744 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.59 25.78 10.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.9 p -153.87 -42.93 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.22 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -97.8 32.1 2.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' CB ' ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -86.02 -57.82 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 42' ' ' LEU . 82.7 Cg_endo -85.49 56.38 4.22 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.659 2.239 . . . . 0.0 112.462 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 46' ' ' ASP . . . 169.62 41.59 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.963 0.411 . . . . 0.0 110.151 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' HB ' ' HA ' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -86.92 37.27 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER 70.92 31.91 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 -177.082 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 4.1 tt0 92.66 26.23 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.699 -178.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER 80.35 41.28 0.07 Allowed 'General case' 0 C--N 1.345 0.403 0 CA-C-O 121.044 0.45 . . . . 0.0 110.286 -179.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.43 -47.07 80.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.832 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.48 -35.48 12.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -40.32 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.507 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 2.3 tt -83.92 11.38 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.455 ' CZ ' ' CG2' ' A' ' 57' ' ' THR . 0.0 OUTLIER -102.98 -34.42 8.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.302 179.676 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.94 48.09 11.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.707 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.08 20.61 5.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.816 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 29.0 t -56.85 -56.99 14.53 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.123 0.487 . . . . 0.0 109.855 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.455 ' CG2' ' CZ ' ' A' ' 53' ' ' TYR . 5.7 t -136.48 17.36 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.076 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.73 66.22 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.75 -22.37 60.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.463 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.56 -16.86 50.35 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.063 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -163.09 64.88 0.19 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.871 0.367 . . . . 0.0 110.804 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.55 -19.41 21.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.023 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -47.49 -27.79 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.556 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -49.71 -26.62 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.308 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.76 -20.37 68.51 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.549 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.8 mm -112.3 -14.03 11.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.736 0.268 . . . . 0.0 111.557 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.91 -31.55 0.52 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 m -108.92 -22.36 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.777 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -73.65 -37.36 65.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.612 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -32.41 72.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.79 -37.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.75 -28.06 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -78.72 -25.36 44.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.0 t -57.93 -31.42 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 mp -57.34 -23.21 47.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.515 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -173.61 113.73 0.21 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.678 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.92 -6.58 25.64 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.994 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 44.38 31.2 0.56 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.938 0.399 . . . . 0.0 111.395 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.874 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.55 0.214 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.02 -24.59 52.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.409 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.25 -27.5 29.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.755 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -67.82 -36.09 79.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.74 -52.58 62.67 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.82 -35.18 66.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.51 -25.72 38.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.83 -21.89 50.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.26 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.23 -53.86 3.12 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -57.34 -21.23 34.1 Favored 'General case' 0 N--CA 1.458 -0.046 0 CA-C-O 121.133 0.492 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -95.73 -22.57 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.49 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -80.61 -8.29 59.56 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.812 0.339 . . . . 0.0 111.071 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.29 -6.17 11.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.064 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -91.41 -27.23 18.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.638 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.07 -23.31 30.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.66 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -81.67 -40.53 22.71 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.031 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HA ' ' CB ' ' A' ' 33' ' ' ALA . . . -53.52 -27.67 26.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.91 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.88 -28.06 44.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.741 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.7 m -53.26 -39.2 63.69 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.739 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -177.98 36.39 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.717 0.294 . . . . 0.0 111.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 29' ' ' ALA . . . -119.68 -37.11 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.524 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.456 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 10.0 mt-30 -77.47 -14.0 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -85.44 -52.16 6.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.95 -40.11 83.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.743 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CD1' ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -66.18 -11.99 53.11 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -91.47 -21.17 21.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.254 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 30.13 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.68 0.276 . . . . 0.0 111.31 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 p -117.51 -77.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 111.004 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -147.23 30.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.267 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 pt? 39.1 64.97 3.55 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.705 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 4.4 Cg_endo -86.56 25.88 0.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.234 2.622 . . . . 0.0 112.589 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.85 -12.48 36.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.412 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.443 ' HA ' ' HB2' ' A' ' 49' ' ' LEU . 2.1 p -66.38 -32.98 60.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.82 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -80.12 -9.08 59.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.509 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -135.16 28.0 3.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.809 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -164.34 -64.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.463 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 17.5 mt -63.5 -20.41 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.012 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.7 15.35 3.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.043 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -129.78 -4.96 4.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.664 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 mt -80.89 8.81 7.46 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.732 0.301 . . . . 0.0 111.236 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' CG ' ' CB ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -95.63 -60.74 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.509 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 m 45.07 46.69 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.564 0.697 . . . . 0.0 110.521 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 178.01 -28.55 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.805 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.489 ' CB ' ' CG ' ' A' ' 53' ' ' TYR . 1.7 t -57.47 -42.25 82.2 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.127 0.489 . . . . 0.0 109.872 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -146.63 21.89 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.653 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.36 -50.72 29.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.106 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.79 -27.77 67.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.582 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 mtt -84.83 -16.14 42.39 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 t -146.04 56.36 1.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 110.638 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -17.6 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.83 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -47.43 -26.02 1.22 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.347 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -48.8 -28.43 3.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.092 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.49 -25.83 73.27 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.062 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 mt -105.72 -16.78 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.58 0.228 . . . . 0.0 111.076 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -41.63 -32.03 0.33 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.4 m -101.0 -28.11 12.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -69.85 -38.17 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.429 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.95 -29.38 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.615 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.24 -40.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -29.22 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -22.76 51.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.5 -30.87 42.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.729 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 tt -55.57 -24.04 30.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.438 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.12 114.05 0.4 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.681 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.53 -6.51 28.15 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.989 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 44.5 31.16 0.57 Allowed 'General case' 0 CA--C 1.527 0.077 0 CA-C-O 120.982 0.42 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.566 0.222 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 15' ' ' LEU . 30.4 p90 -77.62 -24.32 49.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.456 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD21 ' CE1' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -87.51 -28.51 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.737 179.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -73.51 -34.07 65.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -61.36 -51.67 67.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.068 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.24 -35.57 69.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -54.99 -25.88 32.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.768 178.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.36 -25.55 39.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.111 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -51.44 5.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.991 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pp -58.9 -17.44 24.28 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.933 0.397 . . . . 0.0 110.488 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 m -105.28 -11.84 16.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.141 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.5 p -68.07 -11.53 59.2 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.633 0.254 . . . . 0.0 111.634 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -110.47 -7.98 14.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 110.326 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -94.64 -27.52 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -87.92 -22.98 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.29 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -80.91 -42.41 21.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.987 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.09 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.334 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.25 -26.67 22.22 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.742 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.7 p -77.86 -31.17 51.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.71 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.583 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.16 -51.0 5.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.739 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.53 61.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.44 -63.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -58.4 -30.55 66.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -66.32 -14.83 62.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.186 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.96 -31.05 58.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.657 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 19.35 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.26 18.66 11.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.359 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 25.6 t80 41.76 32.68 0.28 Allowed 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.173 0.511 . . . . 0.0 111.496 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' N ' ' CD ' ' A' ' 43' ' ' PRO . 3.5 mt -122.84 51.71 3.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.327 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 42' ' ' LEU . 72.1 Cg_endo -75.91 80.47 2.62 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.513 2.142 . . . . 0.0 112.34 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 63.96 16.82 10.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.464 ' HA ' ' HB2' ' A' ' 49' ' ' LEU . 2.9 p -59.18 -32.65 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.994 0.426 . . . . 0.0 110.396 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -74.56 -19.17 60.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.583 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -130.5 31.78 4.52 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.212 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.87 -55.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.376 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 3.2 mm? -86.56 40.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.269 0.556 . . . . 0.0 109.892 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mtt85 -170.7 -30.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.692 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.94 -27.95 16.75 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 120.792 0.33 . . . . 0.0 110.962 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.15 15.82 11.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.429 ' CG ' ' HB2' ' A' ' 56' ' ' SER . 0.0 OUTLIER -112.44 -42.2 3.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.931 0.396 . . . . 0.0 110.516 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 m 59.88 56.46 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.803 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp 60.15 20.48 9.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.429 ' HB2' ' CG ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -49.86 -42.46 47.58 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-O 120.957 0.408 . . . . 0.0 110.434 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -144.86 20.32 1.63 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.961 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.95 -42.95 20.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.141 0.496 . . . . 0.0 109.885 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.09 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.616 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 tpt -83.05 -26.81 30.79 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.84 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 m -99.2 29.68 3.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.84 -14.96 17.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -46.23 -27.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.7 m -48.12 -27.36 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.69 -14.87 33.35 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.601 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.2 mm -101.27 -14.46 7.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.75 0.275 . . . . 0.0 111.412 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.94 -31.37 0.33 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.824 0.345 . . . . 0.0 111.226 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 m -104.36 -25.48 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.48 -36.28 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.452 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -31.52 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.9 t -79.54 -41.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.24 -30.12 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -80.02 -21.61 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.558 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 32.9 t -58.72 -30.53 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.691 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.38 24.1 3.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.019 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 165.63 93.61 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.38 0.61 . . . . 0.0 109.795 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.4 -12.55 28.29 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.558 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -155.21 42.02 0.44 Allowed 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.012 0.434 . . . . 0.0 111.307 179.593 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.865 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.6 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.503 0.192 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -25.51 55.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.381 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.49 -29.27 30.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.698 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -68.2 -24.77 64.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -59.82 -50.83 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.231 179.705 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -61.22 -37.32 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 29.8 mmtt -55.97 -25.48 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.833 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.26 -20.68 43.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.148 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.42 -52.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.9 pp -57.63 -20.07 30.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.29 -17.05 16.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.854 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.5 t -77.08 -6.6 53.41 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.205 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.57 -14.32 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.204 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -90.74 -32.35 16.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.03 -20.79 34.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.356 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -79.91 -44.82 19.69 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.0 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.41 -32.24 11.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.21 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -88.28 -29.39 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.336 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.5 m -74.09 -28.82 61.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.2 22.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.341 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.43 -50.51 4.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.624 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -20.94 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.689 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -73.66 -62.23 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.597 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mt -67.36 -36.58 81.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.45 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CD1' HD13 ' A' ' 42' ' ' LEU . 16.3 t80 -57.57 -21.13 36.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.189 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -89.4 -28.03 20.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.018 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -106.71 7.2 30.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.529 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.14 3.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.785 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 43.8 t80 42.1 30.61 0.19 Allowed 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.146 0.498 . . . . 0.0 111.528 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' A' ' 37' ' ' TYR . 4.4 mt 54.19 102.7 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.954 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.8 -77.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.252 1.968 . . . . 0.0 112.29 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -162.66 23.66 0.1 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.634 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 p -72.48 -28.12 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.06 0.457 . . . . 0.0 110.241 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -83.52 -11.48 57.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.751 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -128.96 6.99 5.5 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 44' ' ' ALA . 44.5 mmtt -148.74 -61.73 0.24 Allowed 'General case' 0 C--O 1.232 0.146 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.22 -15.14 63.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.42 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -141.14 15.09 2.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.594 0.235 . . . . 0.0 111.415 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -141.67 3.64 1.68 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.5 tp -98.64 16.61 21.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.64 0.257 . . . . 0.0 111.009 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.408 ' CE1' ' N ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -130.48 -56.82 1.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.922 0.391 . . . . 0.0 110.77 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m 55.11 40.73 31.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.175 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.05 17.98 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.0 t -56.77 -52.11 66.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.069 0.461 . . . . 0.0 110.339 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.6 m -147.24 22.0 1.2 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.814 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' N ' ' CE1' ' A' ' 53' ' ' TYR . . . -74.03 -47.66 35.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.221 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.62 -24.34 61.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.776 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.1 ttt -87.85 -23.28 24.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.856 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 t -127.51 46.46 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.672 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -16.64 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.843 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -46.93 -26.52 1.01 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.5 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -48.63 -27.83 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.285 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.12 -24.01 67.35 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.293 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.47 HG22 HD12 ' A' ' 66' ' ' ILE . 10.3 mm -105.58 -16.43 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.487 0.184 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.32 -31.82 0.26 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -103.94 -25.72 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.736 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.9 -36.8 67.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.504 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.61 -31.79 71.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.634 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -88.88 -36.85 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.81 -29.97 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.9 m -77.54 -24.05 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.2 -31.46 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.729 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -24.13 35.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.58 113.31 0.43 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.82 -6.0 27.6 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.913 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 44.57 30.94 0.56 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.902 0.382 . . . . 0.0 111.412 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.906 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.743 0.306 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.5 OUTLIER 82.51 -44.32 0.14 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 -179.683 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -80.46 -31.45 37.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.337 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 m -71.48 -28.92 64.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.719 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.18 -52.62 63.07 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.14 -35.05 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -55.19 -25.55 33.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.831 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -76.61 -25.06 53.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.046 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.78 -54.36 3.37 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.8 pp -61.02 -19.0 60.81 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.922 0.391 . . . . 0.0 110.389 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.04 4.45 12.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.124 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -22.19 58.9 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.758 0.313 . . . . 0.0 111.201 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.44 -13.6 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 109.983 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 6.4 t-105 -91.66 -25.49 19.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.263 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -82.93 -23.35 33.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.399 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.08 -47.21 21.14 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.168 0.509 . . . . 0.0 110.295 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.96 -28.31 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.221 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.13 -30.01 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.6 p -69.58 -29.64 67.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.804 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.45 9.0 35.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.84 -52.4 4.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 0.0 110.669 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -22.47 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -63.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.608 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 pp -59.39 -36.28 75.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CD2' HD21 ' A' ' 42' ' ' LEU . 8.3 m-85 -66.66 -15.26 63.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.0 -27.85 49.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.823 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 13.92 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.366 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 56.77 62.6 2.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.896 0.379 . . . . 0.0 111.037 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -113.19 31.41 6.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.413 HD21 ' CD2' ' A' ' 37' ' ' TYR . 1.1 mp -82.03 138.99 45.88 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.817 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.61 -66.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.388 2.059 . . . . 0.0 112.264 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.73 21.17 0.17 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.753 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.87 -34.59 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -28.01 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.703 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -87.82 -62.09 1.57 Allowed 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.49 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 178.45 49.15 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.398 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.6 tt -101.45 -36.01 8.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.788 0.327 . . . . 0.0 110.851 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.83 29.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.048 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -119.17 -21.48 7.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.404 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.86 17.64 7.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.644 0.259 . . . . 0.0 111.247 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.28 -51.19 1.87 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 110.616 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m 53.78 44.55 29.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.8 17.04 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.006 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.7 t -55.22 -48.84 73.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.004 0.43 . . . . 0.0 110.441 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m -142.3 21.3 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.882 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.67 -43.39 26.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.054 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.31 -21.96 59.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.725 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -81.62 -29.76 33.12 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.0 m -100.8 31.11 3.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.81 -15.29 16.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.925 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -46.62 -27.55 1.18 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -50.06 -27.53 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.36 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -117.4 1.58 18.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.408 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.1 mt -113.7 -9.04 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.617 0.246 . . . . 0.0 111.37 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.412 ' CE2' ' OG1' ' A' ' 68' ' ' THR . 40.1 p90 -45.14 -29.91 1.03 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.885 0.374 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.412 ' OG1' ' CE2' ' A' ' 67' ' ' PHE . 86.6 m -108.07 -24.07 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.673 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.99 -36.11 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.903 0.382 . . . . 0.0 110.463 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.15 -32.02 73.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.339 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.73 -45.91 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.19 -26.01 68.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.709 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 m -78.21 -23.73 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.17 -31.12 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.658 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.97 -23.96 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.458 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.88 116.84 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.729 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.2 -10.82 24.49 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.038 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 44.13 31.11 0.5 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.912 0.387 . . . . 0.0 111.398 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.951 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.7 m . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.647 0.26 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -24.12 50.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.925 0.393 . . . . 0.0 110.461 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.68 -27.91 26.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.809 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -71.76 -32.16 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.3 pt20 -60.7 -52.48 64.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.8 0.333 . . . . 0.0 110.172 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.97 -35.05 66.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.62 -25.42 38.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.8 178.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.36 -22.85 51.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.113 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 -54.26 3.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.95 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.7 pp -60.82 -18.98 58.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.42 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.88 -1.39 13.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.215 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -20.8 58.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 111.24 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.63 -15.72 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 110.094 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -92.28 -26.46 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.306 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -85.94 -20.4 29.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.288 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -80.62 -45.65 16.93 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.165 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.51 -26.84 14.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.364 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -92.65 -27.03 17.55 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.608 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.27 -26.11 42.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.79 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.62 7.0 42.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.51 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.51 -36.89 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -20.09 60.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.519 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 -58.21 3.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.99 -43.24 96.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.671 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -67.57 -13.38 62.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.74 -24.93 26.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.958 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -109.09 24.06 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.182 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.0 p -132.84 -44.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.95 0.405 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -111.8 32.21 5.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.94 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 tp -75.01 112.57 18.55 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.18 -55.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.294 1.996 . . . . 0.0 112.541 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 177.03 32.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.409 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' LEU . 2.0 t -73.94 -29.92 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.021 0.438 . . . . 0.0 109.843 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.85 -25.33 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.14 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.65 19.84 17.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -157.39 -52.8 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 1.1 tt 44.02 50.07 7.3 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.001 0.429 . . . . 0.0 110.413 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER 52.39 34.67 15.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.093 -179.121 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -121.54 -36.17 3.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.94 15.22 10.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.068 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.428 ' CE1' ' HB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -114.26 -38.65 4.06 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.588 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m 55.1 39.2 31.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.18 14.81 5.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.014 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -59.3 -54.1 50.68 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.009 0.433 . . . . 0.0 110.318 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.428 ' HB ' ' CE1' ' A' ' 53' ' ' TYR . 4.0 m -145.35 22.03 1.52 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.801 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.18 -41.82 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.15 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.75 -24.19 59.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.822 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.62 -20.41 36.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 m -125.48 45.13 2.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.898 0.38 . . . . 0.0 110.767 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.98 -14.93 15.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -46.06 -27.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.2 m -49.28 -27.08 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.461 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.59 -6.97 28.44 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.698 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 mm -105.9 -12.88 9.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.77 0.285 . . . . 0.0 111.325 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.78 -31.05 0.44 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -106.94 -23.87 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.861 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.0 -36.39 64.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 0.0 110.544 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -68.11 -30.31 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.725 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.61 -39.88 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.27 -28.28 67.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -78.15 -23.24 47.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.51 -31.6 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 tp -55.43 -24.65 31.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -165.25 112.65 0.98 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.645 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.21 -5.06 31.7 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.954 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 44.56 30.98 0.56 Allowed 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.369 . . . . 0.0 111.402 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.944 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.872 0.368 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.0 m -60.47 -36.89 79.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.75 -53.23 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.037 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.1 -34.51 63.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 ttpt -55.2 -25.74 34.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.752 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.85 -24.95 48.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 -53.53 3.87 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -58.07 -20.51 40.02 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 120.995 0.426 . . . . 0.0 110.241 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 t -95.1 -20.4 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.656 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.9 p -67.85 -13.11 61.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.736 0.303 . . . . 0.0 111.224 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 -5.86 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.998 0.428 . . . . 0.0 110.075 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -91.98 -23.98 19.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.471 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 31' ' ' THR . 10.2 tt0 -82.39 -23.6 34.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.491 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.32 -47.47 19.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.76 -28.01 5.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.303 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -86.7 -30.27 21.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.523 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' GLU . 70.3 p -68.75 -28.71 67.05 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.576 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.36 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.71 -55.84 2.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.533 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.64 -20.85 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.578 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 70' ' ' GLN . 15.3 mt . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -43.4 -30.88 0.58 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.951 0.405 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.9 m -107.89 -23.37 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.739 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.598 ' HB3' HG23 ' A' ' 66' ' ' ILE . 3.8 t0 -74.01 -36.56 64.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -68.67 -31.56 70.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.75 -36.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.38 -29.63 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.1 m -78.14 -25.88 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 179.831 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.96 0.41 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -70.61 -27.53 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.1 pt20 -61.16 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.26 -35.03 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -55.69 -25.48 40.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.756 178.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.68 -23.31 45.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -95.56 -53.85 3.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -60.0 -19.0 50.1 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.973 0.416 . . . . 0.0 110.461 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -108.03 -7.76 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.119 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -61.38 -18.5 59.05 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.311 . . . . 0.0 111.239 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 0.0 109.992 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -90.9 -26.61 19.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.382 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -84.7 -21.47 30.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.381 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 -45.48 19.37 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.108 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.26 -30.08 10.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.213 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -30.06 24.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.223 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -65.93 -31.55 72.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.603 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.75 8.25 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.438 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.8 -50.39 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.621 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.95 -22.79 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.759 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 t30 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.584 179.684 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 69' ' ' ASP . 1.4 mt . . . . . 0 CA--C 1.527 0.074 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.95 -31.5 0.35 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.646 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -104.58 -26.0 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.671 179.33 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.637 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -71.15 -38.07 72.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.438 ' HB2' HG22 ' A' ' 66' ' ' ILE . 17.2 tt0 -64.53 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.42 -34.44 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.646 ' CD1' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -59.26 -32.39 69.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.7 m -76.71 -26.31 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.828 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -67.35 -34.7 77.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -61.68 -51.34 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.03 -35.8 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.807 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -57.64 -25.77 60.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.865 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.33 0.16 50.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.462 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -53.91 1.97 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.8 -21.67 20.61 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -105.01 -23.2 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.429 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -90.83 -2.33 57.78 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.07 -10.55 12.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.417 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -92.77 -34.04 14.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.885 ' O ' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -85.48 -22.75 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.188 178.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -82.02 -41.41 20.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.702 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -50.34 -29.2 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.14 -33.02 19.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.786 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 27' ' ' GLU . 25.8 p -72.99 -26.34 61.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.45 22.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.332 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.67 -55.85 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.619 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -20.26 59.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 179.685 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.633 HG23 ' HB3' ' A' ' 69' ' ' ASP . 11.2 mt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.545 0.212 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -42.8 -31.27 0.47 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.61 -25.55 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.771 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.633 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.3 t0 -72.22 -36.96 69.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.472 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 74' ' ' VAL . 21.3 pt20 -66.2 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.5 t -83.31 -43.3 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 72' ' ' LEU . 1.6 tt -60.51 -27.84 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.76 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -23.05 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 70' ' ' GLN . 93.0 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.888 0.375 . . . . 0.0 110.725 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.849 0.356 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -75.5 -29.07 59.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.99 -51.62 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.108 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.58 -36.03 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 15.3 mtpt -55.94 -25.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -79.28 -18.48 52.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.259 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.2 -53.6 2.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -58.13 -20.73 42.73 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -99.08 -20.75 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -86.89 -3.53 59.08 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.03 -7.25 11.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.385 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -93.63 -31.81 14.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -85.77 -21.37 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.381 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 31' ' ' THR . 1.9 t -82.88 -42.22 18.01 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.168 0.509 . . . . 0.0 109.881 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.862 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -52.91 -26.54 15.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.351 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -90.78 -28.56 18.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.669 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -76.19 -25.89 55.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.726 0.298 . . . . 0.0 110.804 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.17 22.67 12.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -93.57 -57.81 2.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.864 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.64 -22.06 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.762 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.66 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.2 mt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.581 0.229 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.96 0.8 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.93 0.395 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 m -103.81 -25.83 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.608 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.7 t0 -71.03 -37.97 72.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HG3' HG22 ' A' ' 66' ' ' ILE . 6.9 mt-30 -64.65 -31.37 72.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.461 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.89 -44.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -25.78 63.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.5 m -77.62 -24.58 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.723 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 15' ' ' LEU . 4.1 pp . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.827 0.346 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -74.89 -29.05 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.33 -51.94 65.64 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.114 179.493 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.08 -35.2 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.42 -25.95 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.754 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -77.92 -23.39 48.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.177 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -54.0 3.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 18' ' ' VAL . 3.2 pp -61.0 -18.55 58.31 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.45 0.38 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.109 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -20.84 57.81 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -95.91 -15.47 22.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.002 0.429 . . . . 0.0 110.088 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -92.4 -26.78 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 31' ' ' THR . 0.5 OUTLIER -85.3 -22.7 28.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.304 178.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -78.97 -45.29 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.51 . . . . 0.0 110.156 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -50.38 -28.73 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.268 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -29.31 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.543 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' GLU . 68.6 p -71.32 -30.74 66.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.758 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 18.76 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -96.61 -50.24 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.607 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -22.67 62.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.794 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.689 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 69' ' ' ASP . 11.6 mm . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.601 0.239 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -44.6 -30.0 0.83 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.937 0.399 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.683 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -108.41 -23.97 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.873 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.551 ' HB2' HG23 ' A' ' 66' ' ' ILE . 3.6 m-20 -74.17 -36.13 64.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.458 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.518 ' HB2' HG22 ' A' ' 66' ' ' ILE . 42.2 tt0 -67.41 -31.57 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.0 t -85.34 -41.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 68' ' ' THR . 6.5 mp -59.57 -27.55 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.5 m -78.91 -29.59 44.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 70' ' ' GLN . 93.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.838 0.351 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -69.33 -28.94 66.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -62.24 -53.01 61.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.85 -34.99 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.4 -25.61 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.807 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.46 -23.11 46.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.156 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -53.37 3.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -59.27 -19.31 44.91 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.012 0.434 . . . . 0.0 110.485 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -104.5 -12.4 16.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.988 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -19.09 61.77 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.48 -13.31 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.001 0.429 . . . . 0.0 109.981 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.9 t-105 -90.34 -24.77 20.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.392 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -21.92 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.569 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 t -78.1 -46.9 19.48 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.84 -28.86 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.22 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.77 -30.06 24.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.059 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 m -62.8 -32.71 73.94 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.81 19.96 16.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.93 -43.49 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.393 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -68.32 -21.21 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.523 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 70' ' ' GLN . 18.9 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.521 0.2 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -44.82 -30.48 0.98 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.832 HG22 HD13 ' A' ' 72' ' ' LEU . 2.2 m -109.06 -22.68 12.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.847 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.577 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 t0 -74.84 -36.27 62.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.681 ' HB2' HG22 ' A' ' 66' ' ' ILE . 4.1 tt0 -67.12 -32.61 73.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.47 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.08 -41.77 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.832 HD13 HG22 ' A' ' 68' ' ' THR . 3.6 mp -60.58 -27.71 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.849 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -24.18 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 179.864 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 16' ' ' THR . 3.9 pp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.933 0.397 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.456 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.3 m -71.64 -28.82 64.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.529 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -63.88 -50.98 66.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.092 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -62.38 -36.09 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.9 mtpm? -55.49 -25.79 38.93 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.906 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -24.52 44.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.97 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.29 -54.25 3.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.1 pp -61.17 -18.7 59.53 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.965 0.412 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -114.7 -0.62 13.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.123 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -19.88 56.52 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 120.732 0.301 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -13.85 20.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.182 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -93.52 -26.29 17.22 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 31' ' ' THR . 1.2 tm-20 -87.18 -23.16 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.368 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.25 -43.21 21.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.027 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.786 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.59 -27.53 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.324 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -89.64 -29.1 19.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 27' ' ' GLU . 45.7 p -79.69 -29.67 40.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.772 0.32 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.73 8.19 37.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.487 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -85.91 -56.75 3.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.5 -21.46 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.598 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 70' ' ' GLN . 14.0 mt . . . . . 0 CA--C 1.527 0.093 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -44.2 -30.8 0.84 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.873 0.368 . . . . 0.0 111.062 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.526 HG22 ' CD1' ' A' ' 72' ' ' LEU . 3.1 m -108.71 -22.56 12.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.808 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.6 ' HB3' HG23 ' A' ' 66' ' ' ILE . 6.6 t0 -74.82 -36.27 62.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.859 0.361 . . . . 0.0 110.525 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -68.66 -31.15 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.661 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.1 t -88.33 -38.81 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.526 ' CD1' HG22 ' A' ' 68' ' ' THR . 5.8 mt -60.47 -27.94 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -79.27 -23.82 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.846 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.818 0.342 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -77.39 -30.49 53.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -64.76 -50.38 67.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.098 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.82 -35.64 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 11.8 mtpp -56.75 -25.31 54.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.041 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -15.47 56.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.33 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 -53.49 2.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -57.82 -20.3 34.94 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.067 0.46 . . . . 0.0 110.21 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -101.77 -20.64 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.693 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -97.99 -6.23 32.45 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.706 0.289 . . . . 0.0 111.301 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.11 -4.87 10.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.419 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -95.68 -30.63 13.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -85.85 -21.76 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.421 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -83.95 -43.07 15.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.019 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.69 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -54.16 -27.12 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.52 -25.59 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.448 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.3 m -77.2 -27.84 53.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.65 9.26 25.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.677 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -94.5 -53.18 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.633 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.23 -19.01 62.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.853 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.765 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' A' ' 70' ' ' GLN . 11.3 mt . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.515 0.198 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -31.3 0.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.5 m -107.18 -23.81 12.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.4 t70 -73.31 -37.12 66.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' HB2' HG22 ' A' ' 66' ' ' ILE . 6.4 tt0 -68.41 -31.96 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -88.79 -37.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.76 -29.3 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.0 m -78.57 -23.53 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.734 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.933 0.397 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -75.4 -28.59 59.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.628 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -62.4 -51.05 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.106 179.49 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.04 -35.63 69.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 10.9 tttp -55.79 -26.32 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.841 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -22.46 46.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.069 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -96.05 -54.01 3.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.852 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -60.51 -18.26 50.78 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.939 0.4 . . . . 0.0 110.532 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -110.71 -7.49 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.149 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -66.24 -14.61 62.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.716 0.293 . . . . 0.0 111.454 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 22' ' ' LEU . 10.4 p90 -105.28 -10.85 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 110.162 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -93.38 -27.11 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.61 -21.05 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.395 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -80.96 -44.12 18.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.102 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.811 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -52.17 -28.61 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.335 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -90.84 -27.22 18.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.433 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.0 m -75.76 -27.66 58.16 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.59 21.73 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.811 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.0 -50.72 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.774 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -61.69 -19.79 62.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.002 0.43 . . . . 0.0 110.757 179.858 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.596 HG23 ' HB3' ' A' ' 69' ' ' ASP . 13.8 mt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.493 0.187 . . . . 0.0 111.456 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -44.65 -30.27 0.89 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.916 0.389 . . . . 0.0 111.018 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 m -106.86 -23.59 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.69 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.596 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.3 t0 -74.38 -37.14 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.55 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.6 tt0 -67.56 -26.84 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.371 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -85.08 -47.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 72' ' ' LEU . 3.1 pp -63.39 -24.17 67.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.4 m -76.51 -27.54 56.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.493 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 70' ' ' GLN . 89.2 t . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.592 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 15' ' ' LEU . 4.1 pp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 m -74.03 -31.41 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.05 -52.39 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.17 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.48 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.18 -35.34 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 23.6 tttt -56.19 -24.9 44.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.989 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.92 -17.69 55.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.432 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -53.27 2.68 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -59.89 -18.99 48.8 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.926 0.394 . . . . 0.0 110.291 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -108.37 -12.27 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.082 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -19.27 58.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.694 0.283 . . . . 0.0 111.176 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -100.13 -13.0 19.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 0.0 110.138 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -92.19 -24.38 19.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.41 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.29 -21.43 29.0 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 t -79.16 -46.18 18.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.92 -28.42 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -88.68 -27.93 20.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.204 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 83.2 m -69.25 -30.12 68.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.93 10.3 41.27 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.69 -36.22 6.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.342 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.55 -19.67 59.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.566 179.746 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.0 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.507 0.194 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -31.81 0.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.7 m -100.62 -27.97 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.682 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.588 ' HB3' HG23 ' A' ' 66' ' ' ILE . 2.0 t0 -70.96 -37.37 72.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.48 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' A' ' 66' ' ' ILE . 11.3 mm-40 -66.66 -30.01 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.584 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.56 -41.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 72' ' ' LEU . 2.6 tt -60.23 -28.29 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 m -77.45 -21.94 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.7 t . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.737 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -74.21 -31.34 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -63.24 -51.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.109 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.39 -35.21 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 mttt -55.95 -25.45 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.979 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -21.2 46.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.16 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -53.61 3.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -58.62 -20.42 47.33 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.038 0.447 . . . . 0.0 110.189 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -100.53 -18.68 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.616 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -70.37 -12.61 61.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.679 0.276 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.67 -14.32 16.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.918 0.39 . . . . 0.0 110.001 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -90.66 -28.41 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.459 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -20.43 31.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.53 -45.34 17.6 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.298 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.95 -28.49 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.239 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -88.28 -28.23 21.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.202 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 m -69.33 -31.35 69.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.85 7.98 44.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.546 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -51.88 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -60.42 -21.7 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.761 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.568 179.602 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.616 HG23 ' HB3' ' A' ' 69' ' ' ASP . 14.3 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.55 0.214 . . . . 0.0 111.497 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -30.12 1.12 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -107.76 -24.23 11.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.616 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -73.73 -36.1 65.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.54 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.57 ' HB2' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -68.23 -30.09 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.549 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.6 t -86.01 -41.7 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.79 HD13 ' O ' ' A' ' 72' ' ' LEU . 1.1 tm? -60.03 -28.08 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.1 m -77.9 -24.26 48.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.725 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.963 0.411 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -71.81 -26.99 62.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.661 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -62.49 -51.76 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.115 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.63 -35.61 68.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -25.71 46.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.03 -20.47 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.199 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.54 -53.83 3.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.98 -19.47 43.7 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.97 0.414 . . . . 0.0 110.391 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 m -104.53 -14.25 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.995 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -11.19 60.61 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.763 0.316 . . . . 0.0 111.247 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -103.07 -14.56 16.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 110.102 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -91.14 -29.51 17.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -21.18 30.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.352 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.15 -44.48 19.8 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.791 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.03 -30.34 15.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.262 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -88.29 -28.52 21.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.315 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.5 m -72.62 -30.41 64.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.71 20.82 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.791 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -91.55 -54.76 3.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.03 -24.04 22.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.9 mt . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.574 0.226 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.7 -31.95 0.34 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.873 0.368 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.577 HG22 ' CD1' ' A' ' 72' ' ' LEU . 1.7 m -102.39 -26.71 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.648 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -70.83 -37.73 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 74' ' ' VAL . 16.6 tp60 -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.58 -44.5 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.577 ' CD1' HG22 ' A' ' 68' ' ' THR . 2.8 mp -60.63 -28.44 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.774 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -77.89 -24.61 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 70' ' ' GLN . 53.0 t . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.791 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.828 0.346 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -74.55 -28.08 60.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.739 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -62.92 -51.54 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.139 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.9 -35.18 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -25.45 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.012 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -22.73 40.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.018 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.77 -53.11 3.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.801 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.94 -19.73 45.55 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.065 0.459 . . . . 0.0 110.241 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -98.88 -17.46 18.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.717 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 p -61.62 -18.79 60.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.684 0.278 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -97.78 -14.94 20.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -90.91 -25.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.336 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.42 -20.45 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.46 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.09 -45.55 18.05 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.301 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -29.77 16.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.266 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -87.63 -28.25 21.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.259 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.3 m -69.46 -30.02 67.83 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.708 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.29 6.99 47.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.26 -51.66 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.458 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -20.33 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.671 179.767 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.669 HG22 ' HB2' ' A' ' 70' ' ' GLN . 12.8 mm . . . . . 0 C--O 1.231 0.117 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.91 -31.55 0.52 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 m -108.92 -22.36 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.777 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 t0 -73.65 -37.36 65.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.612 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.669 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -67.99 -32.41 72.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.79 -37.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.75 -28.06 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -78.72 -25.36 44.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 179.856 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.687 0.28 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -67.82 -36.09 79.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.74 -52.58 62.67 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.82 -35.18 66.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.51 -25.72 38.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.83 -21.89 50.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.26 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.23 -53.86 3.12 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -57.34 -21.23 34.1 Favored 'General case' 0 N--CA 1.458 -0.046 0 CA-C-O 121.133 0.492 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -95.73 -22.57 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.49 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -80.61 -8.29 59.56 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.812 0.339 . . . . 0.0 111.071 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.29 -6.17 11.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.064 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -91.41 -27.23 18.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.638 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.07 -23.31 30.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.66 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -81.67 -40.53 22.71 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.031 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -53.52 -27.67 26.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.91 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.88 -28.06 44.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.741 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.7 m -53.26 -39.2 63.69 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.739 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -177.98 36.39 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.717 0.294 . . . . 0.0 111.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -119.68 -37.11 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.524 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -77.47 -14.0 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 179.788 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.5 mt . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.58 0.228 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -41.63 -32.03 0.33 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.4 m -101.0 -28.11 12.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.582 ' HB3' HG23 ' A' ' 66' ' ' ILE . 4.1 t0 -69.85 -38.17 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.429 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.482 ' HG3' HG22 ' A' ' 66' ' ' ILE . 2.2 mt-30 -65.95 -29.38 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.615 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.24 -40.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -59.36 -29.22 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -22.76 51.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.729 179.804 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -73.51 -34.07 65.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -61.36 -51.67 67.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.068 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.24 -35.57 69.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -54.99 -25.88 32.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.768 178.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.36 -25.55 39.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.111 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -51.44 5.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.991 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 22' ' ' LEU . 3.9 pp -58.9 -17.44 24.28 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.933 0.397 . . . . 0.0 110.488 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 m -105.28 -11.84 16.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.141 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.5 p -68.07 -11.53 59.2 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.633 0.254 . . . . 0.0 111.634 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -110.47 -7.98 14.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 110.326 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -94.64 -27.52 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.897 ' O ' HG23 ' A' ' 31' ' ' THR . 26.8 mt-10 -87.92 -22.98 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.29 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -80.91 -42.41 21.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.987 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.11 -29.09 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.334 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.25 -26.67 22.22 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.742 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.897 HG23 ' O ' ' A' ' 27' ' ' GLU . 52.7 p -77.86 -31.17 51.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.71 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.583 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -90.16 -51.0 5.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.53 61.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 179.803 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 69' ' ' ASP . 11.2 mm . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.53 0.205 . . . . 0.0 111.412 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.94 -31.37 0.33 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.824 0.345 . . . . 0.0 111.226 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 m -104.36 -25.48 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.553 ' HB2' HG23 ' A' ' 66' ' ' ILE . 36.1 m-20 -73.48 -36.28 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.452 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -67.7 -31.52 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.9 t -79.54 -41.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.24 -30.12 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -80.02 -21.61 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 70' ' ' GLN . 32.9 t . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.691 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -68.2 -24.77 64.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -59.82 -50.83 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.231 179.705 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.452 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -61.22 -37.32 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD3' HD21 ' A' ' 22' ' ' LEU . 29.8 mmtt -55.97 -25.48 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.833 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.26 -20.68 43.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.148 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.42 -52.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD21 ' HD3' ' A' ' 19' ' ' LYS . 3.9 pp -57.63 -20.07 30.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.29 -17.05 16.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.854 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.5 t -77.08 -6.6 53.41 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.205 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.57 -14.32 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.204 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -90.74 -32.35 16.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.03 -20.79 34.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.356 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -79.91 -44.82 19.69 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.0 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -49.41 -32.24 11.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.21 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -88.28 -29.39 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.336 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.5 m -74.09 -28.82 61.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.2 22.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.341 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.43 -50.51 4.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -20.94 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.689 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.597 179.725 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 69' ' ' ASP . 10.3 mm . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.487 0.184 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.32 -31.82 0.26 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -103.94 -25.72 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.736 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.542 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -72.9 -36.8 67.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.504 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -68.61 -31.79 71.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.634 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -88.88 -36.85 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.81 -29.97 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.9 m -77.54 -24.05 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.729 179.756 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 15' ' ' LEU . 4.2 pp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.935 0.398 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.438 ' N ' HD12 ' A' ' 15' ' ' LEU . 11.6 m -71.48 -28.92 64.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.719 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.18 -52.62 63.07 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.14 -35.05 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -55.19 -25.55 33.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.831 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -76.61 -25.06 53.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.046 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -95.78 -54.36 3.37 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.864 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.8 pp -61.02 -19.0 60.81 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.922 0.391 . . . . 0.0 110.389 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.04 4.45 12.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.124 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -58.89 -22.19 58.9 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.758 0.313 . . . . 0.0 111.201 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.44 -13.6 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 109.983 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 6.4 t-105 -91.66 -25.49 19.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.263 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.89 ' O ' HG23 ' A' ' 31' ' ' THR . 4.2 tp10 -82.93 -23.35 33.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.399 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.08 -47.21 21.14 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.168 0.509 . . . . 0.0 110.295 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -49.96 -28.31 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.221 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.13 -30.01 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 27' ' ' GLU . 70.6 p -69.58 -29.64 67.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.804 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.45 9.0 35.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -90.84 -52.4 4.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -22.47 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.608 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.621 HG23 ' HB3' ' A' ' 69' ' ' ASP . 18.1 mt . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.617 0.246 . . . . 0.0 111.37 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -45.14 -29.91 1.03 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.885 0.374 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.6 m -108.07 -24.07 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.673 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.621 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -73.99 -36.11 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.903 0.382 . . . . 0.0 110.463 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.579 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -66.15 -32.02 73.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.339 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.73 -45.91 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.19 -26.01 68.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.709 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 m -78.21 -23.73 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 70' ' ' GLN . 92.8 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.658 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.745 0.307 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -71.76 -32.16 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.3 pt20 -60.7 -52.48 64.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.8 0.333 . . . . 0.0 110.172 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.97 -35.05 66.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.62 -25.42 38.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.8 178.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.36 -22.85 51.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.113 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -98.3 -54.26 3.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.95 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.7 pp -60.82 -18.98 58.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.42 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.88 -1.39 13.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.215 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -59.51 -20.8 58.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 111.24 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.63 -15.72 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 110.094 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -92.28 -26.46 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.306 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -85.94 -20.4 29.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.288 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 31' ' ' THR . 2.4 t -80.62 -45.65 16.93 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.165 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.51 -26.84 14.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.364 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -92.65 -27.03 17.55 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.608 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.539 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -79.27 -26.11 42.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.79 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.62 7.0 42.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.51 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.51 -36.89 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -20.09 60.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.519 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 69' ' ' ASP . 12.4 mm . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.435 0.16 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.78 -31.05 0.44 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -106.94 -23.87 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.861 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.586 ' HB2' HG23 ' A' ' 66' ' ' ILE . 6.2 m-20 -74.0 -36.39 64.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 0.0 110.544 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.414 ' HB3' HG22 ' A' ' 66' ' ' ILE . 1.2 pt20 -68.11 -30.31 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.725 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.61 -39.88 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.27 -28.28 67.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -78.15 -23.24 47.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.76 179.8 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.514 0.197 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -74.11 -25.43 59.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 110.402 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.94 -27.69 57.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.754 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.0 m -60.47 -36.89 79.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.75 -53.23 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.037 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.1 -34.51 63.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 ttpt -55.2 -25.74 34.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.752 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.85 -24.95 48.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 -53.53 3.87 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -58.07 -20.51 40.02 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 120.995 0.426 . . . . 0.0 110.241 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 t -95.1 -20.4 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.656 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.9 p -67.85 -13.11 61.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.736 0.303 . . . . 0.0 111.224 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 -5.86 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.998 0.428 . . . . 0.0 110.075 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -91.98 -23.98 19.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.471 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 31' ' ' THR . 10.2 tt0 -82.39 -23.6 34.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.491 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.32 -47.47 19.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.76 -28.01 5.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.303 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -86.7 -30.27 21.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.523 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' GLU . 70.3 p -68.75 -28.71 67.05 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.576 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.36 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.71 -55.84 2.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.533 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.64 -20.85 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -59.76 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.578 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -70.06 -36.01 74.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.695 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.75 -21.6 42.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.216 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -67.95 -32.85 73.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.734 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -93.63 15.05 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.1 41.15 32.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.812 0.339 . . . . 0.0 111.176 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.617 ' CD2' HD13 ' A' ' 49' ' ' LEU . 3.5 t80 42.8 32.68 0.41 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.284 0.564 . . . . 0.0 111.372 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.638 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -43.57 -49.36 18.64 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.066 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 42' ' ' LEU . 51.7 Cg_exo -38.99 -28.52 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.964 2.443 . . . . 0.0 113.961 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . . . -163.42 25.68 0.08 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.917 HG23 ' CB ' ' A' ' 49' ' ' LEU . 7.5 p -76.12 -36.56 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.046 0.451 . . . . 0.0 110.055 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -19.01 61.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.353 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -118.22 16.83 14.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.297 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -155.23 -53.69 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.192 -0.203 . . . . 0.0 111.476 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.917 ' CB ' HG23 ' A' ' 45' ' ' VAL . 2.9 mp -88.82 42.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.269 0.557 . . . . 0.0 109.749 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 179.96 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.056 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -113.44 -34.26 5.65 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.645 0.259 . . . . 0.0 111.114 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.6 tt -91.02 15.42 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.12 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.23 -45.97 1.0 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.975 0.416 . . . . 0.0 110.552 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m 56.58 48.22 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt 55.05 20.92 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.9 t -53.78 -48.23 69.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 0.0 110.452 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.6 m -146.35 21.33 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.889 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.36 -46.93 25.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.065 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.67 -23.51 61.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.632 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -28.27 52.58 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -71.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 62' ' ' THR . 53.5 m 59.59 7.72 1.09 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.352 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -42.55 -28.79 0.24 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.752 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -51.01 -26.78 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.2 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.88 -4.66 36.2 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.815 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 70' ' ' GLN . 15.3 mt -112.31 -12.26 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 CA-C-N 116.945 0.373 . . . . 0.0 111.527 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -43.4 -30.88 0.58 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.951 0.405 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.9 m -107.89 -23.37 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.739 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.598 ' HB3' HG23 ' A' ' 66' ' ' ILE . 3.8 t0 -74.01 -36.56 64.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -68.67 -31.56 70.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.75 -36.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.38 -29.63 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.1 m -78.14 -25.88 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.84 -31.23 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -23.47 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -175.4 113.93 0.14 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.696 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.22 -6.32 25.13 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.043 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 44.33 31.17 0.54 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.987 0.422 . . . . 0.0 111.429 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.855 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.687 0.279 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER 82.45 -44.33 0.14 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.718 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -80.07 -32.24 39.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.33 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -70.61 -27.53 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.1 pt20 -61.16 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.26 -35.03 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -55.69 -25.48 40.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.756 178.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.68 -23.31 45.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -95.56 -53.85 3.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -60.0 -19.0 50.1 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.973 0.416 . . . . 0.0 110.461 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -108.03 -7.76 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.119 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -61.38 -18.5 59.05 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.311 . . . . 0.0 111.239 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 0.0 109.992 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -90.9 -26.61 19.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.382 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -84.7 -21.47 30.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.381 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 -45.48 19.37 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.108 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.26 -30.08 10.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.213 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -30.06 24.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.223 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -65.93 -31.55 72.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.603 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.521 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -98.75 8.25 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.438 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.8 -50.39 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.621 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.95 -22.79 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.759 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -75.68 -64.48 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.584 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 40' ' ' THR . 4.2 pp -57.75 -34.92 70.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.793 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' N ' HD12 ' A' ' 36' ' ' LEU . 2.8 m-85 -58.78 -18.77 34.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HA ' ' CD ' ' A' ' 43' ' ' PRO . 3.7 mm-40 -71.05 -29.19 65.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.78 24.07 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.414 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 36' ' ' LEU . 60.9 p -108.39 -77.03 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -131.15 33.01 4.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.589 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp 57.19 104.42 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.102 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.821 ' HG2' HG23 ' A' ' 45' ' ' VAL . 84.5 Cg_endo -87.69 -2.22 7.43 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.854 2.369 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 43' ' ' PRO . . . 68.73 11.67 8.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.412 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.927 HG12 ' HB2' ' A' ' 49' ' ' LEU . 2.2 t -74.61 -31.9 28.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.95 -25.8 68.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.555 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -105.27 -19.22 13.87 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.732 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -95.22 -47.87 6.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.927 ' HB2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.79 -15.45 61.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.413 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.36 -28.14 12.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.601 0.238 . . . . 0.0 111.52 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.01 -23.52 15.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.718 0.294 . . . . 0.0 111.355 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.7 tp -88.27 14.18 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.221 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 0.2 OUTLIER -107.37 -48.31 3.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 110.507 179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 m 60.5 54.6 3.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.119 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mttm 58.04 20.18 6.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.448 ' HB2' ' CD2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -50.13 -43.15 51.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.011 0.434 . . . . 0.0 110.357 179.665 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 57' ' ' THR . 5.5 m -149.15 21.04 0.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.79 -42.03 35.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 -26.85 65.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.424 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -31.24 70.57 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.417 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.6 p -93.19 -72.62 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.722 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 62' ' ' THR . 54.4 m 59.99 7.64 1.22 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.338 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.765 ' HA ' HD12 ' A' ' 66' ' ' ILE . 9.0 m-85 -42.17 -29.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.923 0.392 . . . . 0.0 110.79 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -50.37 -26.78 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.172 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.21 -14.83 56.92 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.657 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 63' ' ' TYR . 1.4 mt -108.85 -14.76 9.84 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-N 116.896 0.348 . . . . 0.0 111.476 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.95 -31.5 0.35 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.646 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -104.58 -26.0 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.671 179.33 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.637 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -71.15 -38.07 72.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.438 ' HB2' HG22 ' A' ' 66' ' ' ILE . 17.2 tt0 -64.53 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.42 -34.44 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.646 ' CD1' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -59.26 -32.39 69.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.7 m -76.71 -26.31 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.6 t -57.87 -31.04 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.44 -23.86 41.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.428 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -170.51 112.84 0.43 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.34 -6.11 26.69 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.963 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 44.53 31.01 0.56 Allowed 'General case' 0 C--O 1.23 0.042 0 CA-C-O 120.969 0.414 . . . . 0.0 111.446 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.857 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.451 ' N ' ' HG1' ' A' ' 16' ' ' THR . 69.7 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.518 0.199 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -75.78 -23.9 55.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.868 0.365 . . . . 0.0 110.391 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.02 -29.3 32.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.451 ' HG1' ' N ' ' A' ' 13' ' ' THR . 16.2 m -67.35 -34.7 77.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -61.68 -51.34 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.03 -35.8 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.807 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -57.64 -25.77 60.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.865 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.33 0.16 50.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.462 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -53.91 1.97 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.8 -21.67 20.61 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -105.01 -23.2 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.429 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -90.83 -2.33 57.78 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.07 -10.55 12.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.417 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -92.77 -34.04 14.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.885 ' O ' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -85.48 -22.75 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.188 178.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -82.02 -41.41 20.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.702 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -50.34 -29.2 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.14 -33.02 19.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.786 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 27' ' ' GLU . 25.8 p -72.99 -26.34 61.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -113.45 22.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.332 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.67 -55.85 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.619 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -20.26 59.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -72.25 -60.51 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 8.5 mt -64.22 -44.22 92.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -56.8 -21.67 30.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.266 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.73 -50.09 22.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -98.91 30.86 3.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.7 m -149.48 -45.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.71 32.27 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tp -110.57 91.66 12.57 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -86.13 34.09 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.844 2.362 . . . . 0.0 112.763 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.96 6.42 4.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.564 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.674 ' CG2' HD12 ' A' ' 49' ' ' LEU . 5.8 p -62.64 -29.92 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.455 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -75.75 -22.9 56.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.664 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -121.78 28.89 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.616 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -163.51 -57.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.674 HD12 ' CG2' ' A' ' 45' ' ' VAL . 5.3 tp 48.51 32.68 3.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 67.96 28.62 6.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.987 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -116.98 -26.09 6.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.186 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.44 15.34 9.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.011 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -44.25 4.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.459 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.54 50.63 12.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 mttt 60.23 18.46 7.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -53.33 -46.9 69.66 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.062 0.458 . . . . 0.0 110.461 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 57' ' ' THR . 6.0 m -146.89 21.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.828 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.63 -40.97 32.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.488 . . . . 0.0 109.944 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.07 -21.88 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.692 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.3 mtm -79.06 -24.73 43.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.6 m -107.32 34.86 3.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.21 -14.04 15.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.983 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -45.92 -27.46 0.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.843 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.4 m -48.23 -27.78 2.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.413 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -108.62 -10.09 25.72 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.591 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.633 HG23 ' HB3' ' A' ' 69' ' ' ASP . 11.2 mt -101.84 -12.17 8.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.693 0.247 . . . . 0.0 111.368 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -42.8 -31.27 0.47 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.61 -25.55 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.771 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.633 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.3 t0 -72.22 -36.96 69.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.472 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 74' ' ' VAL . 21.3 pt20 -66.2 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.5 t -83.31 -43.3 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 72' ' ' LEU . 1.6 tt -60.51 -27.84 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.76 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -23.05 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 70' ' ' GLN . 93.0 t -58.39 -30.8 41.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.888 0.375 . . . . 0.0 110.725 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -24.03 33.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.361 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -177.68 115.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.769 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.53 -8.8 24.2 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.064 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 44.12 31.18 0.51 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.903 0.382 . . . . 0.0 111.373 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.931 0.396 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -107.05 -38.29 6.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.302 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.47 -28.22 26.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.425 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -75.5 -29.07 59.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.99 -51.62 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.108 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.58 -36.03 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 15.3 mtpt -55.94 -25.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -79.28 -18.48 52.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.259 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.2 -53.6 2.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -58.13 -20.73 42.73 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -99.08 -20.75 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -86.89 -3.53 59.08 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.03 -7.25 11.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.385 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -93.63 -31.81 14.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -85.77 -21.37 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.381 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 31' ' ' THR . 1.9 t -82.88 -42.22 18.01 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.168 0.509 . . . . 0.0 109.881 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.862 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -52.91 -26.54 15.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.351 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -90.78 -28.56 18.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.669 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -76.19 -25.89 55.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.726 0.298 . . . . 0.0 110.804 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.746 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -117.17 22.67 12.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -93.57 -57.81 2.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.864 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.64 -22.06 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -77.32 -61.7 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.8 pp -60.25 -35.46 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' N ' HD12 ' A' ' 36' ' ' LEU . 1.8 t80 -68.89 -12.28 61.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.317 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -102.46 0.54 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.316 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -149.71 26.55 0.82 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.767 0.317 . . . . 0.0 111.174 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.3 m -130.38 -58.72 1.05 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.973 0.416 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -115.93 30.54 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.6 OUTLIER 172.87 85.95 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.677 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.27 36.38 0.5 Allowed 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.927 2.418 . . . . 0.0 112.92 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.04 17.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.519 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.78 HG12 ' CB ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -77.16 -34.17 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -68.16 -22.36 64.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.025 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.59 6.16 19.85 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.989 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -130.8 -47.25 1.04 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.78 ' CB ' HG12 ' A' ' 45' ' ' VAL . 4.1 tt -77.98 -2.11 35.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.108 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.81 -18.46 11.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.501 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.32 -41.42 0.64 Allowed 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -85.93 14.33 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.635 0.255 . . . . 0.0 111.541 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.659 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -137.11 -44.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.565 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 m 52.33 40.81 29.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.271 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? 52.77 21.73 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.699 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -56.94 -55.75 30.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.019 0.438 . . . . 0.0 110.23 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 t -132.13 17.45 4.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.256 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 53' ' ' TYR . . . -73.71 -47.91 35.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.56 -17.59 55.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.343 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -21.47 22.08 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.9 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 p -92.28 17.0 10.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.344 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.55 -15.87 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 110.506 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -47.16 -27.3 1.39 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.56 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -26.99 3.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.359 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.48 -6.57 25.21 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.642 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.66 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.2 mt -106.02 -11.86 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 116.799 0.299 . . . . 0.0 111.279 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.96 0.8 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.93 0.395 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 m -103.81 -25.83 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.608 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.7 t0 -71.03 -37.97 72.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HG3' HG22 ' A' ' 66' ' ' ILE . 2.6 mt-30 -64.65 -31.37 72.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.461 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.89 -44.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -25.78 63.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.5 m -77.62 -24.58 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -58.47 -30.77 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.723 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -23.59 40.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.447 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.51 110.58 2.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.551 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.92 -7.0 31.16 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.755 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 44.25 31.23 0.54 Allowed 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.894 0.378 . . . . 0.0 111.383 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.472 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.935 0.398 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.91 -36.22 5.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.273 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.1 pp -84.81 -27.19 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.509 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -74.89 -29.05 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.33 -51.94 65.64 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.114 179.493 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.08 -35.2 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.42 -25.95 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.754 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -77.92 -23.39 48.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.177 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -54.0 3.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 18' ' ' VAL . 3.2 pp -61.0 -18.55 58.31 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.45 0.38 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.109 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -20.84 57.81 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -95.91 -15.47 22.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.002 0.429 . . . . 0.0 110.088 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -92.4 -26.78 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 31' ' ' THR . 0.5 OUTLIER -85.3 -22.7 28.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.304 178.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -78.97 -45.29 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.51 . . . . 0.0 110.156 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -50.38 -28.73 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.268 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -29.31 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.543 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' GLU . 68.6 p -71.32 -30.74 66.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.758 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.607 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -107.1 18.76 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -96.61 -50.24 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.607 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -22.67 62.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.794 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -76.61 -64.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 32' ' ' ALA . 4.1 pp -58.86 -32.08 69.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' HA ' HG22 ' A' ' 40' ' ' THR . 8.4 m-85 -69.88 -12.03 61.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.375 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -88.57 -29.38 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -98.97 15.41 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.346 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 37' ' ' TYR . 15.3 t -131.57 -35.89 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.292 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -96.39 31.55 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.795 ' O ' HG12 ' A' ' 45' ' ' VAL . 11.0 mt -60.59 171.2 1.08 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HD3' HD23 ' A' ' 42' ' ' LEU . 26.5 Cg_exo -62.49 -10.1 17.94 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.699 2.266 . . . . 0.0 112.845 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.86 -6.92 50.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 0.0 111.456 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 42' ' ' LEU . 9.7 p -63.46 -24.58 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.067 0.46 . . . . 0.0 110.036 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.34 -22.74 51.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.677 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -122.12 30.09 6.75 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -165.45 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.702 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 49' ' ' LEU . 1.3 tt 46.57 40.02 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 62.39 32.66 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.834 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -109.0 -24.52 11.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 tp -89.01 14.92 9.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.089 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.941 ' CG ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -106.33 -43.85 4.68 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.0 110.485 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t 48.55 34.22 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? 54.14 19.53 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.881 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -63.8 -64.05 1.0 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.176 0.512 . . . . 0.0 109.787 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.462 HG23 ' HE1' ' A' ' 53' ' ' TYR . 10.6 t -131.66 18.78 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.987 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.941 ' HB2' ' CG ' ' A' ' 53' ' ' TYR . . . -75.37 -40.79 57.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.651 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.07 -22.33 49.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.627 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 ttp -84.3 -26.6 28.42 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.0 m -109.01 35.41 3.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.26 -15.65 15.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -46.45 -27.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.8 m -49.77 -27.06 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.46 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.35 0.42 20.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.698 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 69' ' ' ASP . 11.6 mm -113.21 -10.74 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 116.827 0.314 . . . . 0.0 111.284 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -44.6 -30.0 0.83 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.937 0.399 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.683 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -108.41 -23.97 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.873 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.551 ' HB2' HG23 ' A' ' 66' ' ' ILE . 3.6 m-20 -74.17 -36.13 64.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.458 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.518 ' HB2' HG22 ' A' ' 66' ' ' ILE . 42.2 tt0 -67.41 -31.57 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.0 t -85.34 -41.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 68' ' ' THR . 6.5 mp -59.57 -27.55 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.5 m -78.91 -29.59 44.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 70' ' ' GLN . 93.7 t -57.96 -31.44 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.11 -24.23 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.29 114.95 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.7 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.18 -8.73 22.9 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.009 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 44.39 30.86 0.52 Allowed 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.851 0.358 . . . . 0.0 111.381 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.89 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.596 ' N ' ' HG1' ' A' ' 16' ' ' THR . 70.9 m . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.622 0.248 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -25.18 50.58 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.877 0.37 . . . . 0.0 110.333 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -83.42 -26.62 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.808 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.596 ' HG1' ' N ' ' A' ' 13' ' ' THR . 7.1 m -69.33 -28.94 66.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -62.24 -53.01 61.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.85 -34.99 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.4 -25.61 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.807 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.46 -23.11 46.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.156 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -53.37 3.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -59.27 -19.31 44.91 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.012 0.434 . . . . 0.0 110.485 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -104.5 -12.4 16.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.988 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -19.09 61.77 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.48 -13.31 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.001 0.429 . . . . 0.0 109.981 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.9 t-105 -90.34 -24.77 20.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.392 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -21.92 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.569 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 t -78.1 -46.9 19.48 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.84 -28.86 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.22 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.77 -30.06 24.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.059 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 m -62.8 -32.71 73.94 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.81 19.96 16.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.93 -43.49 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.393 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -68.32 -21.21 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.523 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -59.74 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.6 -42.26 98.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.758 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.07 -15.28 59.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.437 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -86.29 -18.69 31.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.73 ' O ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -104.62 14.42 29.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.443 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -175.66 -30.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.704 0.288 . . . . 0.0 111.5 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 40.6 t80 46.32 30.32 1.01 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.242 0.544 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 40' ' ' THR . 1.7 mp -158.28 130.32 4.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.16 52.01 4.0 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.617 2.211 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 60.54 18.09 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.471 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG23 ' HG ' ' A' ' 49' ' ' LEU . 7.3 p -69.24 -30.81 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 0.0 110.571 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.93 -21.07 51.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.761 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -125.53 31.33 5.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -171.51 -61.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.009 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.572 ' HG ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER 49.11 29.64 2.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.903 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 66.31 32.9 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -113.15 -18.82 12.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.33 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 48' ' ' LYS . 4.7 mt -92.76 19.69 7.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 -49.38 1.75 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.956 0.408 . . . . 0.0 110.68 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m 58.59 52.19 7.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.966 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.8 tptt 55.46 21.79 4.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.0 t -55.25 -50.11 70.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.986 0.422 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -147.18 21.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.031 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.26 -38.04 27.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.098 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.96 -19.04 52.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.714 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -28.6 25.25 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m -106.43 33.54 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.73 -15.69 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CZ ' ' NE2' ' A' ' 70' ' ' GLN . 3.0 m-85 -47.05 -28.18 1.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -50.88 -26.94 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.993 0.425 . . . . 0.0 110.363 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -117.7 2.97 17.66 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.497 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 70' ' ' GLN . 18.9 mt -115.6 -9.86 12.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.706 0.253 . . . . 0.0 111.484 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -44.82 -30.48 0.98 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.832 HG22 HD13 ' A' ' 72' ' ' LEU . 2.2 m -109.06 -22.68 12.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.847 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.577 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 t0 -74.84 -36.27 62.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.681 ' HB2' HG22 ' A' ' 66' ' ' ILE . 7.6 tt0 -67.12 -32.61 73.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.47 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.08 -41.77 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.832 HD13 HG22 ' A' ' 68' ' ' THR . 3.6 mp -60.58 -27.71 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.849 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -24.18 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.4 -30.85 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 mt -56.52 -23.61 40.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -175.02 114.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.748 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.24 -8.26 24.86 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.001 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 44.29 30.98 0.51 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.889 0.376 . . . . 0.0 111.418 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.94 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.475 0.179 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 67.84 15.33 9.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 16' ' ' THR . 3.9 pp -112.28 -38.05 4.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.456 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.3 m -71.64 -28.82 64.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.529 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -63.88 -50.98 66.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.092 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -62.38 -36.09 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.9 mtpm? -55.49 -25.79 38.93 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.906 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -24.52 44.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.97 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.29 -54.25 3.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.1 pp -61.17 -18.7 59.53 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.965 0.412 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -114.7 -0.62 13.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.123 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -19.88 56.52 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 120.732 0.301 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -13.85 20.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.182 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -93.52 -26.29 17.22 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 31' ' ' THR . 1.2 tm-20 -87.18 -23.16 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.368 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.25 -43.21 21.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.027 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.786 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.59 -27.53 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.324 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -89.64 -29.1 19.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 27' ' ' GLU . 45.7 p -79.69 -29.67 40.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.772 0.32 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.518 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -103.73 8.19 37.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.487 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -85.91 -56.75 3.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.5 -21.46 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -61.27 2.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.598 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 36' ' ' LEU . 3.4 pp -59.03 -37.23 76.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.51 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -73.64 -8.12 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -97.73 -24.84 15.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.76 0.314 . . . . 0.0 111.194 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -128.55 13.76 6.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.634 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.97 11.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.46 ' CD1' ' CE1' ' A' ' 37' ' ' TYR . 1.2 t80 -142.9 31.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.885 0.374 . . . . 0.0 110.8 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 2.8 mp -134.51 -68.01 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.178 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 42' ' ' LEU . 72.9 Cg_endo -74.01 58.4 4.16 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.218 1.945 . . . . 0.0 112.324 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.801 ' HB1' ' HG3' ' A' ' 48' ' ' LYS . . . -169.12 30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.65 ' O ' HD12 ' A' ' 49' ' ' LEU . 7.3 p -78.3 -23.25 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.586 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -85.29 -22.76 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.681 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 7.7 mm-40 -105.21 -29.2 10.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.889 0.376 . . . . 0.0 110.703 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.801 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -113.28 -60.64 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER 60.78 11.98 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.009 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER 164.23 -44.11 0.0 OUTLIER 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.966 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER 161.21 34.66 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.949 0.404 . . . . 0.0 110.61 -179.59 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 48' ' ' LYS . 1.6 mt -78.7 5.41 11.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.415 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -94.52 -39.96 10.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.692 179.665 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 t 55.94 46.61 21.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp 57.09 19.14 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 t -57.2 -52.67 64.36 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.056 0.455 . . . . 0.0 110.364 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.626 HG22 ' OG ' ' A' ' 61' ' ' SER . 6.0 m -149.39 22.72 0.93 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.829 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB2' ' HD2' ' A' ' 53' ' ' TYR . . . -75.86 -47.37 25.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.17 -19.0 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.863 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.0 ttt -89.46 -26.74 20.79 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.834 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.626 ' OG ' HG22 ' A' ' 57' ' ' THR . 49.6 m -108.42 34.12 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.29 -16.7 16.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -46.85 -27.69 1.32 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 m -50.01 -26.37 4.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.73 -3.34 28.61 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.765 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 70' ' ' GLN . 14.0 mt -112.59 -11.15 11.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-N 116.897 0.349 . . . . 0.0 111.461 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -44.2 -30.8 0.84 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.873 0.368 . . . . 0.0 111.062 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.526 HG22 ' CD1' ' A' ' 72' ' ' LEU . 3.1 m -108.71 -22.56 12.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.808 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.6 ' HB3' HG23 ' A' ' 66' ' ' ILE . 6.6 t0 -74.82 -36.27 62.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.859 0.361 . . . . 0.0 110.525 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -68.66 -31.15 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.661 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.1 t -88.33 -38.81 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.526 ' CD1' HG22 ' A' ' 68' ' ' THR . 5.8 mt -60.47 -27.94 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -79.27 -23.82 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.05 -32.24 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tp -56.0 -25.01 42.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -177.49 115.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.832 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.73 -8.6 23.83 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.079 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 44.31 30.93 0.51 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 111.38 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.935 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.948 0.404 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -111.24 -35.84 5.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.327 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.63 -27.74 23.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.426 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -77.39 -30.49 53.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -64.76 -50.38 67.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.098 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 14' ' ' PHE . 1.8 t -62.82 -35.64 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 11.8 mtpp -56.75 -25.31 54.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.041 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -15.47 56.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.33 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 -53.49 2.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -57.82 -20.3 34.94 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.067 0.46 . . . . 0.0 110.21 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -101.77 -20.64 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.693 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -97.99 -6.23 32.45 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.706 0.289 . . . . 0.0 111.301 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.11 -4.87 10.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.419 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -95.68 -30.63 13.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -85.85 -21.76 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.421 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -83.95 -43.07 15.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.019 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.69 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -54.16 -27.12 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.52 -25.59 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.448 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.3 m -77.2 -27.84 53.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -109.65 9.26 25.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.677 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -94.5 -53.18 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.633 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.23 -19.01 62.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.853 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -74.95 -59.29 2.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.765 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.7 pp -71.75 -38.17 70.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' HA ' HG22 ' A' ' 40' ' ' THR . 19.8 m-85 -68.09 -10.17 51.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.602 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -93.92 -14.7 25.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.426 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -142.09 31.2 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 37' ' ' TYR . 11.4 t -116.96 -55.42 2.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.739 0.304 . . . . 0.0 111.241 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.534 ' N ' HG23 ' A' ' 40' ' ' THR . 0.4 OUTLIER -161.82 29.02 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.892 0.377 . . . . 0.0 111.452 -179.688 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' HB ' ' A' ' 45' ' ' VAL . 94.5 mt -157.99 106.26 1.74 Allowed Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.45 -49.06 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.315 2.01 . . . . 0.0 112.143 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.28 18.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.435 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.925 HG12 ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -79.08 -31.13 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.9 -23.16 64.16 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.86 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -111.3 7.2 20.96 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.814 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -129.22 -45.93 1.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.925 ' HB2' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -56.66 -28.17 60.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.021 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -104.79 -34.58 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.61 -43.48 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 12.46 17.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.037 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.454 ' C ' ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -115.17 -31.14 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.471 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 32.3 t -75.32 20.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.251 0.548 . . . . 0.0 111.651 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 53' ' ' TYR . 1.9 tppt? -149.57 -15.83 0.28 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.432 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -85.49 -51.48 6.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 15.62 12.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.832 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 54' ' ' SER . . . -79.85 -54.48 5.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.66 -20.59 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.603 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 19.6 tpp -87.58 -29.9 20.92 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.913 0.387 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -78.38 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.963 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 62' ' ' THR . 54.5 m 59.85 6.56 0.92 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -41.1 -29.21 0.11 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -49.13 -28.31 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.036 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.72 -23.64 76.22 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.189 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' A' ' 70' ' ' GLN . 11.3 mt -109.72 -14.62 10.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.515 0.198 . . . . 0.0 111.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -31.3 0.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.5 m -107.18 -23.81 12.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.4 t70 -73.31 -37.12 66.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.583 ' HB2' HG22 ' A' ' 66' ' ' ILE . 6.4 tt0 -68.41 -31.96 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -88.79 -37.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.76 -29.3 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.0 m -78.57 -23.53 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.28 -30.63 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.734 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.2 mt -55.57 -23.83 29.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.433 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.04 112.77 1.18 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.618 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.23 -8.25 28.88 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.873 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 44.16 31.2 0.52 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.884 0.373 . . . . 0.0 111.354 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.864 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.852 0.358 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.1 -36.13 5.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.31 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -85.6 -28.45 24.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.451 179.449 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -75.4 -28.59 59.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.628 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -62.4 -51.05 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.106 179.49 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.04 -35.63 69.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 10.9 tttp -55.79 -26.32 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.841 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -22.46 46.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.069 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -96.05 -54.01 3.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.852 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -60.51 -18.26 50.78 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.939 0.4 . . . . 0.0 110.532 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -110.71 -7.49 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.149 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -66.24 -14.61 62.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.716 0.293 . . . . 0.0 111.454 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 22' ' ' LEU . 10.4 p90 -105.28 -10.85 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 110.162 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -93.38 -27.11 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.61 -21.05 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.395 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -80.96 -44.12 18.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.102 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.811 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -52.17 -28.61 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.335 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -90.84 -27.22 18.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.433 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.0 m -75.76 -27.66 58.16 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -114.59 21.73 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.298 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.811 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.0 -50.72 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.774 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -61.69 -19.79 62.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -80.27 -62.24 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.002 0.43 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 32' ' ' ALA . 4.2 pp -64.23 -29.22 70.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' N ' HD12 ' A' ' 36' ' ' LEU . 73.7 t80 -84.17 3.23 36.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.32 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -109.59 -23.36 11.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.647 0.26 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.48 30.65 1.72 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.304 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.63 -43.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.836 0.35 . . . . 0.0 111.257 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -111.73 32.79 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.063 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' CB ' ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -143.82 -57.18 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.428 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 42' ' ' LEU . 7.1 Cg_endo -87.09 46.19 1.39 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.786 2.324 . . . . 0.0 112.433 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' ' 49' ' ' LEU . . . -131.18 4.13 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.772 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.563 HG23 ' HG2' ' A' ' 50' ' ' ARG . 2.5 p -60.96 -33.54 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.015 0.436 . . . . 0.0 109.993 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -66.9 -23.84 66.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.937 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -87.5 -55.07 3.95 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.92 48.88 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.472 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -98.87 31.33 3.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.563 ' HG2' HG23 ' A' ' 45' ' ' VAL . 4.8 ptm85 179.7 -37.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -71.91 -32.21 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 tp -89.22 11.98 17.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.07 -37.36 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.451 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.4 m 54.99 40.64 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt 59.97 16.07 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.956 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 m -60.96 -55.99 26.45 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.973 0.416 . . . . 0.0 110.347 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 m -144.64 21.82 1.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.892 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.96 -36.86 30.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.156 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.56 -21.76 48.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.835 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.0 mtp -83.65 -25.61 30.61 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 m -112.37 37.24 3.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -15.98 14.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -46.63 -28.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.943 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 m -50.29 -26.61 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.437 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.28 1.37 20.73 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.672 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.596 HG23 ' HB3' ' A' ' 69' ' ' ASP . 13.8 mt -113.57 -11.76 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 116.801 0.3 . . . . 0.0 111.456 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -44.65 -30.27 0.89 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.916 0.389 . . . . 0.0 111.018 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 m -106.86 -23.59 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.69 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.596 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.3 t0 -74.38 -37.14 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.55 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.6 tt0 -67.56 -26.84 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.371 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -85.08 -47.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 72' ' ' LEU . 3.1 pp -63.39 -24.17 67.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.4 m -76.51 -27.54 56.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.493 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 70' ' ' GLN . 89.2 t -60.07 -37.08 71.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.592 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.5 mt -61.18 -20.2 62.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -162.57 107.16 1.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.144 0.497 . . . . 0.0 110.453 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.52 -7.13 18.2 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.448 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 44.22 31.33 0.54 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.927 0.394 . . . . 0.0 111.394 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.711 ' N ' ' HG1' ' A' ' 16' ' ' THR . 64.7 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.598 0.237 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -78.11 -25.49 47.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.838 0.352 . . . . 0.0 110.326 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.1 pp -87.54 -27.41 22.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.711 ' HG1' ' N ' ' A' ' 13' ' ' THR . 4.5 m -74.03 -31.41 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.05 -52.39 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.17 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.48 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.18 -35.34 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 23.6 tttt -56.19 -24.9 44.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.989 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.92 -17.69 55.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.432 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -53.27 2.68 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -59.89 -18.99 48.8 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.926 0.394 . . . . 0.0 110.291 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -108.37 -12.27 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.082 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -19.27 58.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.694 0.283 . . . . 0.0 111.176 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -100.13 -13.0 19.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 0.0 110.138 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -92.19 -24.38 19.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.41 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.29 -21.43 29.0 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 t -79.16 -46.18 18.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.92 -28.42 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -88.68 -27.93 20.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.204 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 83.2 m -69.25 -30.12 68.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.93 10.3 41.27 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.69 -36.22 6.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.342 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.55 -19.67 59.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -76.58 -56.23 4.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.566 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mt -64.56 -44.12 91.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -64.61 -16.06 62.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.429 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' O ' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -85.4 -28.67 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.893 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.4 29.99 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.71 -44.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -121.83 32.51 5.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -55.18 142.16 58.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -84.83 17.91 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.778 2.319 . . . . 0.0 112.829 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.58 -0.44 13.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.463 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 42' ' ' LEU . 2.8 t -62.79 -30.52 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.067 0.461 . . . . 0.0 109.867 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -70.1 -24.63 63.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.473 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -117.62 28.69 8.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.073 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 50' ' ' ARG . 2.2 tttt -160.83 -57.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.5 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.4 mt 64.4 -4.56 0.41 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.794 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' A' ' 48' ' ' LYS . 1.5 ptt180 162.05 -29.48 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 122.358 0.263 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 165.62 32.61 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.859 0.361 . . . . 0.0 110.816 -179.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 52' ' ' LEU . 3.2 tt -81.68 8.23 10.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.224 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.66 -66.16 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.9 m 55.92 49.89 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.59 17.28 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.946 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -53.78 -47.17 71.01 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.026 0.441 . . . . 0.0 110.385 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.4 m -144.42 20.89 1.71 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.718 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.25 -44.4 37.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.01 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.05 -25.56 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.715 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.0 mmt -84.85 -19.9 31.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.957 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -132.97 49.62 2.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.78 -15.71 20.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.076 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -46.37 -27.1 0.96 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.709 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -48.29 -27.6 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.35 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.02 -20.23 36.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.441 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.0 mt -98.33 -16.22 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.689 0.244 . . . . 0.0 111.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -31.81 0.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.7 m -100.62 -27.97 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.682 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.588 ' HB3' HG23 ' A' ' 66' ' ' ILE . 2.0 t0 -70.96 -37.37 72.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.48 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' A' ' 66' ' ' ILE . 11.3 mm-40 -66.66 -30.01 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.584 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.56 -41.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 72' ' ' LEU . 2.6 tt -60.23 -28.29 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 m -77.45 -21.94 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.67 -30.76 42.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.737 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 75' ' ' LEU . 7.9 tt -55.22 -24.21 26.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.434 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.38 113.39 0.74 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.613 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.18 -7.17 28.87 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.926 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 44.44 31.07 0.55 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.913 0.387 . . . . 0.0 111.389 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.656 ' N ' ' HG1' ' A' ' 16' ' ' THR . 69.1 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.654 0.264 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -78.51 -24.44 45.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.411 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.41 -26.73 23.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.84 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.656 ' HG1' ' N ' ' A' ' 13' ' ' THR . 4.8 m -74.21 -31.34 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -63.24 -51.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.109 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.39 -35.21 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 mttt -55.95 -25.45 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.979 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -21.2 46.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.16 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -53.61 3.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -58.62 -20.42 47.33 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.038 0.447 . . . . 0.0 110.189 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -100.53 -18.68 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.616 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -70.37 -12.61 61.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.679 0.276 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.67 -14.32 16.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.918 0.39 . . . . 0.0 110.001 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -90.66 -28.41 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.459 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -20.43 31.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.53 -45.34 17.6 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.298 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.95 -28.49 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.239 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -88.28 -28.23 21.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.202 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 m -69.33 -31.35 69.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.501 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -99.85 7.98 44.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.546 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -51.88 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -60.42 -21.7 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.761 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -73.15 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.568 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' N ' ' A' ' 37' ' ' TYR . 3.3 pp -60.68 -41.82 95.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.789 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' N ' HD12 ' A' ' 36' ' ' LEU . 6.9 m-85 -61.7 -19.16 62.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.9 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.24 -38.8 78.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -104.37 27.7 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.2 m -113.33 -77.45 0.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.66 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -149.27 31.17 0.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 41' ' ' TYR . 5.5 mp -155.0 100.55 2.33 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.1 4.17 7.0 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.617 2.212 . . . . 0.0 112.949 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.42 8.01 3.63 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 49' ' ' LEU . 8.4 p -59.94 -27.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 0.0 110.503 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.49 -15.14 57.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.652 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 3.4 pt-20 -133.13 28.89 4.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.878 0.371 . . . . 0.0 110.764 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -176.94 -71.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.06 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 45' ' ' VAL . 2.9 tt 77.02 -37.18 0.27 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.69 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' A' ' 48' ' ' LYS . 1.5 ttt180 170.54 38.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.513 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 78.9 26.23 0.47 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.919 0.39 . . . . 0.0 110.656 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -87.9 8.73 24.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.027 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.433 ' CE1' ' HA ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -93.43 -33.26 13.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.482 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.441 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 1.5 m -81.29 23.25 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.416 0.626 . . . . 0.0 111.181 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -150.08 -19.32 0.25 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.015 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -88.23 -49.72 6.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.57 12.7 18.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.989 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 54' ' ' SER . . . -86.81 -48.9 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.47 -13.96 61.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.171 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 ttt -83.99 -23.97 30.77 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.787 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -94.73 24.22 4.85 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.245 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.92 -14.87 18.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 110.717 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -46.67 -26.76 0.98 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.644 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.4 m -48.73 -26.82 2.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.522 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.53 -7.34 28.09 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.802 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.616 HG23 ' HB3' ' A' ' 69' ' ' ASP . 14.3 mt -109.08 -9.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.808 0.304 . . . . 0.0 111.497 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -30.12 1.12 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -107.76 -24.23 11.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.616 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -73.73 -36.1 65.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.54 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.57 ' HB2' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -68.23 -30.09 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.549 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.6 t -86.01 -41.7 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.79 HD13 ' O ' ' A' ' 72' ' ' LEU . 1.1 tm? -60.03 -28.08 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.1 m -77.9 -24.26 48.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.43 -30.97 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.725 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 mp -56.38 -23.54 38.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.507 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.42 115.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.752 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.87 -9.48 23.35 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.963 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 44.1 31.29 0.52 Allowed 'General case' 0 C--O 1.23 0.065 0 CA-C-O 120.898 0.38 . . . . 0.0 111.404 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.667 ' O ' HD23 ' A' ' 15' ' ' LEU . 19.4 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.718 0.294 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.5 OUTLIER 82.71 -44.42 0.13 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 13' ' ' THR . 0.4 OUTLIER -80.7 -33.1 35.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.963 0.411 . . . . 0.0 110.403 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -71.81 -26.99 62.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.661 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -62.49 -51.76 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.115 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.63 -35.61 68.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -25.71 46.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.03 -20.47 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.199 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.54 -53.83 3.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.98 -19.47 43.7 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.97 0.414 . . . . 0.0 110.391 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 m -104.53 -14.25 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.995 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -11.19 60.61 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.763 0.316 . . . . 0.0 111.247 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -103.07 -14.56 16.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 110.102 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -91.14 -29.51 17.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -21.18 30.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.352 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.15 -44.48 19.8 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.791 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.03 -30.34 15.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.262 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -88.29 -28.52 21.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.315 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.5 m -72.62 -30.41 64.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -112.71 20.82 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.791 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -91.55 -54.76 3.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.03 -24.04 22.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -62.52 1.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 37' ' ' TYR . 4.0 pp -56.62 -34.59 67.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.8 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.17 -19.1 52.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.117 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -31.99 70.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 40' ' ' THR . 0.1 OUTLIER -93.56 16.55 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.814 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 39' ' ' LYS . 14.2 t 44.67 42.81 6.15 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 111.499 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.74 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -105.12 28.25 7.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.942 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -109.12 -53.19 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.514 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' CD ' ' H ' ' A' ' 42' ' ' LEU . 23.4 Cg_exo -64.59 -9.19 19.67 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.481 2.12 . . . . 0.0 112.996 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -123.34 4.41 9.11 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 42' ' ' LEU . 6.8 p -69.06 -26.11 31.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.02 0.438 . . . . 0.0 110.574 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -81.33 -19.43 42.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.895 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -134.31 30.2 3.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.495 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -164.59 -58.13 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.136 -0.226 . . . . 0.0 111.425 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.818 ' HB3' HG23 ' A' ' 45' ' ' VAL . 11.6 tp -85.84 41.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.2 0.524 . . . . 0.0 109.904 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.715 HH21 HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -179.16 -26.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.797 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -110.01 -30.93 7.57 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.706 0.288 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 52' ' ' LEU . 3.4 tt -90.8 16.37 9.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.496 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 0.2 OUTLIER -122.5 -49.92 2.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.795 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m 40.94 35.22 0.33 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.618 0.723 . . . . 0.0 110.522 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -167.86 -22.92 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.277 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.496 ' HB3' ' CG ' ' A' ' 53' ' ' TYR . 1.9 p -51.04 -51.45 53.05 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.218 0.532 . . . . 0.0 109.749 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.715 HG21 HH21 ' A' ' 50' ' ' ARG . 12.4 t -128.59 17.17 6.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.859 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -70.13 -43.71 70.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.586 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.31 -24.78 63.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.65 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -19.62 50.16 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.181 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.81 53.14 1.69 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.751 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -15.6 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -46.54 -27.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.795 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.4 m -49.29 -27.56 3.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.225 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.85 -8.76 25.66 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.573 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.9 mt -101.04 -14.47 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 116.756 0.278 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.7 -31.95 0.34 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.873 0.368 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.577 HG22 ' CD1' ' A' ' 72' ' ' LEU . 1.7 m -102.39 -26.71 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.648 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -70.83 -37.73 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 74' ' ' VAL . 16.6 tp60 -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.58 -44.5 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.577 ' CD1' HG22 ' A' ' 68' ' ' THR . 2.8 mp -60.63 -28.44 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.774 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -77.89 -24.61 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.607 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 53.0 t -58.4 -29.41 38.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.791 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.63 24.28 5.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.998 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 163.62 92.35 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.376 0.607 . . . . 0.0 109.827 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.21 -12.11 24.11 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.607 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER -155.16 38.51 0.4 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.407 -0.397 . . . . 0.0 111.299 179.573 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' CA ' ' O ' ' A' ' 74' ' ' VAL . 6.6 tt0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.88 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.99 0.424 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.18 -37.66 5.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.271 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -83.99 -27.83 28.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.415 179.412 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -74.55 -28.08 60.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.739 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -62.92 -51.54 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.139 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.9 -35.18 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -25.45 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.012 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -22.73 40.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.018 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.77 -53.11 3.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.801 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.94 -19.73 45.55 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.065 0.459 . . . . 0.0 110.241 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -98.88 -17.46 18.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.717 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 p -61.62 -18.79 60.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.684 0.278 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -97.78 -14.94 20.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -90.91 -25.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.336 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.42 -20.45 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.46 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.09 -45.55 18.05 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.301 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -29.77 16.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.266 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -87.63 -28.25 21.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.259 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.3 m -69.46 -30.02 67.83 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.708 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.682 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -96.29 6.99 47.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.26 -51.66 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.458 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -20.33 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -75.03 -62.16 1.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.671 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.5 pp -61.52 -39.48 91.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.614 ' CD1' HD11 ' A' ' 36' ' ' LEU . 13.7 m-85 -70.2 -12.06 61.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.263 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.792 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.3 mt-10 -84.37 -28.02 27.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.744 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.59 25.78 10.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.9 p -153.87 -42.93 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.22 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -97.8 32.1 2.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -86.02 -57.82 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 82.7 Cg_endo -85.49 56.38 4.22 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.659 2.239 . . . . 0.0 112.462 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 43' ' ' PRO . . . 169.62 41.59 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.963 0.411 . . . . 0.0 110.151 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -86.92 37.27 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.479 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER 70.92 31.91 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 -177.082 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 4.1 tt0 92.66 26.23 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.699 -178.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER 80.35 41.28 0.07 Allowed 'General case' 0 C--N 1.345 0.403 0 CA-C-O 121.044 0.45 . . . . 0.0 110.286 -179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.43 -47.07 80.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.832 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.48 -35.48 12.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.69 ' HB2' HG21 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.25 -40.32 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.507 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.3 tt -83.92 11.38 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.614 ' CZ ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -102.98 -34.42 8.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.302 179.676 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.94 48.09 11.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.707 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.08 20.61 5.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.816 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.421 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 29.0 t -56.85 -56.99 14.53 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.123 0.487 . . . . 0.0 109.855 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.614 HG22 ' CZ ' ' A' ' 53' ' ' TYR . 5.7 t -136.48 17.36 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.076 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 62' ' ' THR . . . -71.42 -43.73 66.22 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.75 -22.37 60.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.463 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.56 -16.86 50.35 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.063 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -163.09 64.88 0.19 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.871 0.367 . . . . 0.0 110.804 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -92.55 -19.41 21.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.023 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -47.49 -27.79 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.556 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -49.71 -26.62 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.308 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.76 -20.37 68.51 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.549 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.669 HG22 ' HB2' ' A' ' 70' ' ' GLN . 12.8 mm -112.3 -14.03 11.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.736 0.268 . . . . 0.0 111.557 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.91 -31.55 0.52 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 m -108.92 -22.36 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.777 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 t0 -73.65 -37.36 65.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.612 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.669 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -67.99 -32.41 72.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.79 -37.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.75 -28.06 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -78.72 -25.36 44.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.0 t -57.93 -31.42 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 mp -57.34 -23.21 47.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.515 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -173.61 113.73 0.21 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.678 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.92 -6.58 25.64 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.994 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 44.38 31.2 0.56 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.938 0.399 . . . . 0.0 111.395 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.874 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.597 ' N ' ' HG1' ' A' ' 16' ' ' THR . 70.1 m . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.55 0.214 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.02 -24.59 52.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.409 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -83.25 -27.5 29.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.755 179.735 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.597 ' HG1' ' N ' ' A' ' 13' ' ' THR . 7.7 m -67.82 -36.09 79.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.74 -52.58 62.67 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.82 -35.18 66.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.51 -25.72 38.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.83 -21.89 50.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.26 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.23 -53.86 3.12 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -57.34 -21.23 34.1 Favored 'General case' 0 N--CA 1.458 -0.046 0 CA-C-O 121.133 0.492 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -95.73 -22.57 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.49 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -80.61 -8.29 59.56 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.812 0.339 . . . . 0.0 111.071 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.29 -6.17 11.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.064 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -91.41 -27.23 18.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.638 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.07 -23.31 30.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.66 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -81.67 -40.53 22.71 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.031 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -53.52 -27.67 26.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.91 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.88 -28.06 44.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.741 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.7 m -53.26 -39.2 63.69 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.739 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.696 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -177.98 36.39 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.717 0.294 . . . . 0.0 111.789 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -119.68 -37.11 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.524 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 10.0 mt-30 -77.47 -14.0 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -85.44 -52.16 6.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.9 pp -67.95 -40.11 83.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.743 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.757 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -66.18 -11.99 53.11 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -91.47 -21.17 21.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.254 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 30.13 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.68 0.276 . . . . 0.0 111.31 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 36' ' ' LEU . 4.4 p -117.51 -77.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 111.004 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.667 ' C ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -147.23 30.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.267 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 41' ' ' TYR . 1.1 pt? 39.1 64.97 3.55 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.705 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 4.4 Cg_endo -86.56 25.88 0.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.234 2.622 . . . . 0.0 112.589 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.757 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -90.85 -12.48 36.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.412 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.738 ' HB ' HD12 ' A' ' 49' ' ' LEU . 2.1 p -66.38 -32.98 60.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.82 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -80.12 -9.08 59.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.509 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 26.2 mt-10 -135.16 28.0 3.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.809 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -164.34 -64.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.463 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.738 HD12 ' HB ' ' A' ' 45' ' ' VAL . 17.5 mt -63.5 -20.41 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.012 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.7 15.35 3.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.043 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' A' ' 47' ' ' GLU . 2.8 t70 -129.78 -4.96 4.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.664 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 mt -80.89 8.81 7.46 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.732 0.301 . . . . 0.0 111.236 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' CG ' ' CB ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -95.63 -60.74 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.509 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 m 45.07 46.69 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.564 0.697 . . . . 0.0 110.521 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 178.01 -28.55 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.805 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.489 ' CB ' ' CG ' ' A' ' 53' ' ' TYR . 1.7 t -57.47 -42.25 82.2 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.127 0.489 . . . . 0.0 109.872 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -146.63 21.89 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.653 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.36 -50.72 29.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.106 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.79 -27.77 67.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.582 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 mtt -84.83 -16.14 42.39 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 t -146.04 56.36 1.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 110.638 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -17.6 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.83 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -47.43 -26.02 1.22 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.347 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -48.8 -28.43 3.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.092 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.49 -25.83 73.27 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.062 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.5 mt -105.72 -16.78 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.58 0.228 . . . . 0.0 111.076 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -41.63 -32.03 0.33 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.4 m -101.0 -28.11 12.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.582 ' HB3' HG23 ' A' ' 66' ' ' ILE . 4.1 t0 -69.85 -38.17 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.429 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.482 ' HG3' HG22 ' A' ' 66' ' ' ILE . 2.2 mt-30 -65.95 -29.38 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.615 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.24 -40.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.604 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -59.36 -29.22 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -22.76 51.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.5 -30.87 42.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.729 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 75' ' ' LEU . 5.8 tt -55.57 -24.04 30.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.438 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.12 114.05 0.4 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.681 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.53 -6.51 28.15 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.989 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 44.5 31.16 0.57 Allowed 'General case' 0 CA--C 1.527 0.077 0 CA-C-O 120.982 0.42 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' N ' ' HG1' ' A' ' 16' ' ' THR . 61.3 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.566 0.222 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -77.62 -24.32 49.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.456 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -87.51 -28.51 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.737 179.737 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HG1' ' N ' ' A' ' 13' ' ' THR . 46.8 m -73.51 -34.07 65.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -61.36 -51.67 67.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.068 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.24 -35.57 69.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -54.99 -25.88 32.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.768 178.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.36 -25.55 39.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.111 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -51.44 5.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.991 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 22' ' ' LEU . 3.9 pp -58.9 -17.44 24.28 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.933 0.397 . . . . 0.0 110.488 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 m -105.28 -11.84 16.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.141 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.5 p -68.07 -11.53 59.2 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.633 0.254 . . . . 0.0 111.634 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -110.47 -7.98 14.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 110.326 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -94.64 -27.52 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.897 ' O ' HG23 ' A' ' 31' ' ' THR . 26.8 mt-10 -87.92 -22.98 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.29 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -80.91 -42.41 21.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.987 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.11 -29.09 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.334 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.25 -26.67 22.22 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.742 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.897 HG23 ' O ' ' A' ' 27' ' ' GLU . 52.7 p -77.86 -31.17 51.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.542 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -100.67 8.71 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.583 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -90.16 -51.0 5.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.53 61.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.44 -63.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 32' ' ' ALA . 4.1 pp -58.4 -30.55 66.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.845 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' N ' HD12 ' A' ' 36' ' ' LEU . 39.8 t80 -66.32 -14.83 62.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.186 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.96 -31.05 58.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.657 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 19.35 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.516 HG22 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER 65.26 18.66 11.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.359 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 25.6 t80 41.76 32.68 0.28 Allowed 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.173 0.511 . . . . 0.0 111.496 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.664 HD23 ' CG1' ' A' ' 45' ' ' VAL . 3.5 mt -122.84 51.71 3.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.327 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 42' ' ' LEU . 72.1 Cg_endo -75.91 80.47 2.62 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.513 2.142 . . . . 0.0 112.34 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 63.96 16.82 10.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.782 HG23 ' HB2' ' A' ' 49' ' ' LEU . 2.9 p -59.18 -32.65 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.994 0.426 . . . . 0.0 110.396 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -74.56 -19.17 60.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.583 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -130.5 31.78 4.52 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.212 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' HG3' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -163.87 -55.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.376 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.782 ' HB2' HG23 ' A' ' 45' ' ' VAL . 3.2 mm? -86.56 40.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.269 0.556 . . . . 0.0 109.892 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mtt85 -170.7 -30.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.692 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.94 -27.95 16.75 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 120.792 0.33 . . . . 0.0 110.962 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD12 ' HG3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -91.15 15.82 11.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.451 ' CG ' ' HB2' ' A' ' 56' ' ' SER . 0.0 OUTLIER -112.44 -42.2 3.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.931 0.396 . . . . 0.0 110.516 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 m 59.88 56.46 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.803 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 58' ' ' ALA . 5.1 ttpp 60.15 20.48 9.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.451 ' HB2' ' CG ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -49.86 -42.46 47.58 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-O 120.957 0.408 . . . . 0.0 110.434 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -144.86 20.32 1.63 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.961 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -80.95 -42.95 20.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.141 0.496 . . . . 0.0 109.885 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.09 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.616 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 tpt -83.05 -26.81 30.79 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.84 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 m -99.2 29.68 3.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.84 -14.96 17.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -46.23 -27.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.7 m -48.12 -27.36 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.69 -14.87 33.35 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.601 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 69' ' ' ASP . 11.2 mm -101.27 -14.46 7.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.75 0.275 . . . . 0.0 111.412 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.94 -31.37 0.33 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.824 0.345 . . . . 0.0 111.226 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 m -104.36 -25.48 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.553 ' HB2' HG23 ' A' ' 66' ' ' ILE . 36.1 m-20 -73.48 -36.28 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.452 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -67.7 -31.52 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.9 t -79.54 -41.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.24 -30.12 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -80.02 -21.61 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 70' ' ' GLN . 32.9 t -58.72 -30.53 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.691 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.38 24.1 3.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.019 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 165.63 93.61 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.38 0.61 . . . . 0.0 109.795 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.4 -12.55 28.29 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.59 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -155.21 42.02 0.44 Allowed 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.012 0.434 . . . . 0.0 111.307 179.593 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.865 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.612 ' N ' ' HG1' ' A' ' 16' ' ' THR . 66.6 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.503 0.192 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -25.51 55.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.381 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.49 -29.27 30.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.698 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.612 ' HG1' ' N ' ' A' ' 13' ' ' THR . 3.9 m -68.2 -24.77 64.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -59.82 -50.83 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.231 179.705 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -61.22 -37.32 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD3' HD21 ' A' ' 22' ' ' LEU . 29.8 mmtt -55.97 -25.48 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.833 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.26 -20.68 43.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.148 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.42 -52.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD21 ' HD3' ' A' ' 19' ' ' LYS . 3.9 pp -57.63 -20.07 30.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.29 -17.05 16.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.854 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.5 t -77.08 -6.6 53.41 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.205 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.57 -14.32 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.204 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -90.74 -32.35 16.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.03 -20.79 34.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.356 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -79.91 -44.82 19.69 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.0 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -49.41 -32.24 11.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.21 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -88.28 -29.39 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.336 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.5 m -74.09 -28.82 61.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.2 22.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.341 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.43 -50.51 4.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -20.94 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.689 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -73.66 -62.23 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.597 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mt -67.36 -36.58 81.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.45 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' A' ' 42' ' ' LEU . 16.3 t80 -57.57 -21.13 36.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.189 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -89.4 -28.03 20.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.018 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -106.71 7.2 30.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.529 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.14 3.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.785 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 43.8 t80 42.1 30.61 0.19 Allowed 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.146 0.498 . . . . 0.0 111.528 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.577 HD13 ' OD2' ' A' ' 46' ' ' ASP . 4.4 mt 54.19 102.7 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.954 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 42' ' ' LEU . 19.6 Cg_endo -58.8 -77.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.252 1.968 . . . . 0.0 112.29 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB1' ' CG ' ' A' ' 48' ' ' LYS . . . -162.66 23.66 0.1 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.634 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.866 HG23 ' HB3' ' A' ' 49' ' ' LEU . 2.4 p -72.48 -28.12 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.06 0.457 . . . . 0.0 110.241 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.577 ' OD2' HD13 ' A' ' 42' ' ' LEU . 26.9 p30 -83.52 -11.48 57.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.751 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -128.96 6.99 5.5 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' CG ' ' HB1' ' A' ' 44' ' ' ALA . 44.5 mmtt -148.74 -61.73 0.24 Allowed 'General case' 0 C--O 1.232 0.146 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.866 ' HB3' HG23 ' A' ' 45' ' ' VAL . 5.7 tp -68.22 -15.14 63.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.42 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -141.14 15.09 2.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.594 0.235 . . . . 0.0 111.415 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -141.67 3.64 1.68 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.5 tp -98.64 16.61 21.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.64 0.257 . . . . 0.0 111.009 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.408 ' CE1' ' N ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -130.48 -56.82 1.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.922 0.391 . . . . 0.0 110.77 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m 55.11 40.73 31.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.175 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.05 17.98 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.0 t -56.77 -52.11 66.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.069 0.461 . . . . 0.0 110.339 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.6 m -147.24 22.0 1.2 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.814 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' N ' ' CE1' ' A' ' 53' ' ' TYR . . . -74.03 -47.66 35.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.221 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.62 -24.34 61.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.776 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.1 ttt -87.85 -23.28 24.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.856 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 t -127.51 46.46 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.672 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -16.64 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.843 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -46.93 -26.52 1.01 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.5 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -48.63 -27.83 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.285 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.12 -24.01 67.35 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.293 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 69' ' ' ASP . 10.3 mm -105.58 -16.43 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.487 0.184 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.32 -31.82 0.26 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -103.94 -25.72 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.736 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.542 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -72.9 -36.8 67.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.504 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -68.61 -31.79 71.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.634 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -88.88 -36.85 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.81 -29.97 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.9 m -77.54 -24.05 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.2 -31.46 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.729 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -24.13 35.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.58 113.31 0.43 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.82 -6.0 27.6 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.913 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 44.57 30.94 0.56 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.902 0.382 . . . . 0.0 111.412 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.906 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.743 0.306 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.5 OUTLIER 82.51 -44.32 0.14 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 -179.683 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.2 pp -80.46 -31.45 37.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.337 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.438 ' N ' HD12 ' A' ' 15' ' ' LEU . 11.6 m -71.48 -28.92 64.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.719 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.18 -52.62 63.07 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.14 -35.05 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -55.19 -25.55 33.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.831 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -76.61 -25.06 53.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.046 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -95.78 -54.36 3.37 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.864 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.8 pp -61.02 -19.0 60.81 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.922 0.391 . . . . 0.0 110.389 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.04 4.45 12.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.124 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -58.89 -22.19 58.9 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.758 0.313 . . . . 0.0 111.201 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.44 -13.6 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 109.983 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 6.4 t-105 -91.66 -25.49 19.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.263 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.89 ' O ' HG23 ' A' ' 31' ' ' THR . 4.2 tp10 -82.93 -23.35 33.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.399 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.08 -47.21 21.14 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.168 0.509 . . . . 0.0 110.295 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -49.96 -28.31 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.221 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.13 -30.01 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 27' ' ' GLU . 70.6 p -69.58 -29.64 67.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.804 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.631 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -104.45 9.0 35.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.395 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -90.84 -52.4 4.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -22.47 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -63.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.608 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.2 pp -59.39 -36.28 75.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.552 ' CE2' HD23 ' A' ' 42' ' ' LEU . 8.3 m-85 -66.66 -15.26 63.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.0 -27.85 49.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.823 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 13.92 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.366 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 56.77 62.6 2.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.896 0.379 . . . . 0.0 111.037 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -113.19 31.41 6.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.61 ' HB3' HG12 ' A' ' 45' ' ' VAL . 1.1 mp -82.03 138.99 45.88 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.817 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HB2' HD13 ' A' ' 49' ' ' LEU . 31.6 Cg_exo -58.61 -66.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.388 2.059 . . . . 0.0 112.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.73 21.17 0.17 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.753 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 51' ' ' ASP . 6.5 p -64.87 -34.59 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -28.01 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.703 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -87.82 -62.09 1.57 Allowed 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.49 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' CE ' HD22 ' A' ' 52' ' ' LEU . 0.8 OUTLIER 178.45 49.15 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.398 179.712 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD13 ' HB2' ' A' ' 43' ' ' PRO . 8.6 tt -101.45 -36.01 8.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.788 0.327 . . . . 0.0 110.851 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.83 29.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.048 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.629 ' HB2' HG22 ' A' ' 45' ' ' VAL . 11.0 t70 -119.17 -21.48 7.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.404 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD22 ' CE ' ' A' ' 48' ' ' LYS . 1.6 tp -90.86 17.64 7.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.644 0.259 . . . . 0.0 111.247 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.671 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -123.28 -51.19 1.87 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 110.616 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m 53.78 44.55 29.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.8 17.04 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.006 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.7 t -55.22 -48.84 73.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.004 0.43 . . . . 0.0 110.441 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m -142.3 21.3 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.882 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.671 ' HB2' ' HD2' ' A' ' 53' ' ' TYR . . . -78.67 -43.39 26.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.054 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.31 -21.96 59.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.725 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -81.62 -29.76 33.12 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.0 m -100.8 31.11 3.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.81 -15.29 16.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.925 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -46.62 -27.55 1.18 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -50.06 -27.53 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.36 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -117.4 1.58 18.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.408 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.621 HG23 ' HB3' ' A' ' 69' ' ' ASP . 18.1 mt -113.7 -9.04 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.617 0.246 . . . . 0.0 111.37 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -45.14 -29.91 1.03 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.885 0.374 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.6 m -108.07 -24.07 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.673 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.621 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -73.99 -36.11 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.903 0.382 . . . . 0.0 110.463 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.579 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -66.15 -32.02 73.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.339 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.73 -45.91 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.19 -26.01 68.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.709 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 m -78.21 -23.73 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 70' ' ' GLN . 92.8 t -58.17 -31.12 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.658 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.97 -23.96 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.458 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.88 116.84 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.729 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.2 -10.82 24.49 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.038 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 44.13 31.11 0.5 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.912 0.387 . . . . 0.0 111.398 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.951 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.7 m . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.647 0.26 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -24.12 50.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.925 0.393 . . . . 0.0 110.461 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.68 -27.91 26.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.809 179.769 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -71.76 -32.16 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.3 pt20 -60.7 -52.48 64.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.8 0.333 . . . . 0.0 110.172 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.97 -35.05 66.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.62 -25.42 38.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.8 178.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.36 -22.85 51.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.113 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -98.3 -54.26 3.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.95 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.7 pp -60.82 -18.98 58.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.42 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.88 -1.39 13.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.215 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -59.51 -20.8 58.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 111.24 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.63 -15.72 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 110.094 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -92.28 -26.46 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.306 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -85.94 -20.4 29.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.288 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 31' ' ' THR . 2.4 t -80.62 -45.65 16.93 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.165 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.51 -26.84 14.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.364 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -92.65 -27.03 17.55 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.608 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.539 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -79.27 -26.11 42.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.79 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.62 7.0 42.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.51 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.51 -36.89 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -20.09 60.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.519 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 -58.21 3.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.99 -43.24 96.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.671 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -67.57 -13.38 62.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -85.74 -24.93 26.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.958 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -109.09 24.06 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.182 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.0 p -132.84 -44.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.95 0.405 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -111.8 32.21 5.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.94 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 38' ' ' GLU . 4.0 tp -75.01 112.57 18.55 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 68.2 Cg_endo -81.18 -55.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.294 1.996 . . . . 0.0 112.541 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 43' ' ' PRO . . . 177.03 32.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.409 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' LEU . 2.0 t -73.94 -29.92 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.021 0.438 . . . . 0.0 109.843 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.85 -25.33 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.14 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.65 19.84 17.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -157.39 -52.8 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 1.1 tt 44.02 50.07 7.3 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.001 0.429 . . . . 0.0 110.413 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER 52.39 34.67 15.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.093 -179.121 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -121.54 -36.17 3.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.94 15.22 10.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.068 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CE1' ' HB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -114.26 -38.65 4.06 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.588 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m 55.1 39.2 31.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.18 14.81 5.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.014 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -59.3 -54.1 50.68 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.009 0.433 . . . . 0.0 110.318 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.448 ' HB ' ' CE1' ' A' ' 53' ' ' TYR . 4.0 m -145.35 22.03 1.52 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.801 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.18 -41.82 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.15 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.75 -24.19 59.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.822 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.62 -20.41 36.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 m -125.48 45.13 2.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.898 0.38 . . . . 0.0 110.767 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.98 -14.93 15.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -46.06 -27.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.2 m -49.28 -27.08 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.461 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.59 -6.97 28.44 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.698 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 69' ' ' ASP . 12.4 mm -105.9 -12.88 9.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.77 0.285 . . . . 0.0 111.325 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.78 -31.05 0.44 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -106.94 -23.87 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.861 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.586 ' HB2' HG23 ' A' ' 66' ' ' ILE . 6.2 m-20 -74.0 -36.39 64.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 0.0 110.544 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.414 ' HB3' HG22 ' A' ' 66' ' ' ILE . 1.2 pt20 -68.11 -30.31 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.725 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.61 -39.88 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.27 -28.28 67.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -78.15 -23.24 47.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.51 -31.6 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 75' ' ' LEU . 8.6 tp -55.43 -24.65 31.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -165.25 112.65 0.98 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.645 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.21 -5.06 31.7 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.954 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 44.56 30.98 0.56 Allowed 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.369 . . . . 0.0 111.402 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.944 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.872 0.368 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.0 m -60.47 -36.89 79.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.75 -53.23 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.037 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.1 -34.51 63.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 ttpt -55.2 -25.74 34.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.752 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.85 -24.95 48.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 -53.53 3.87 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -58.07 -20.51 40.02 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 120.995 0.426 . . . . 0.0 110.241 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 t -95.1 -20.4 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.656 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.9 p -67.85 -13.11 61.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.736 0.303 . . . . 0.0 111.224 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 -5.86 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.998 0.428 . . . . 0.0 110.075 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -91.98 -23.98 19.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.471 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 31' ' ' THR . 10.2 tt0 -82.39 -23.6 34.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.491 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.32 -47.47 19.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.76 -28.01 5.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.303 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -86.7 -30.27 21.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.523 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' GLU . 70.3 p -68.75 -28.71 67.05 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.576 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.36 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.71 -55.84 2.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.533 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.64 -20.85 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.578 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 70' ' ' GLN . 15.3 mt . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -43.4 -30.88 0.58 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.951 0.405 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.9 m -107.89 -23.37 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.739 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.598 ' HB3' HG23 ' A' ' 66' ' ' ILE . 3.8 t0 -74.01 -36.56 64.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -68.67 -31.56 70.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.75 -36.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.38 -29.63 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.1 m -78.14 -25.88 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 179.831 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.96 0.41 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -70.61 -27.53 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.1 pt20 -61.16 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.26 -35.03 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -55.69 -25.48 40.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.756 178.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.68 -23.31 45.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -95.56 -53.85 3.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -60.0 -19.0 50.1 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.973 0.416 . . . . 0.0 110.461 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -108.03 -7.76 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.119 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -61.38 -18.5 59.05 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.311 . . . . 0.0 111.239 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 0.0 109.992 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -90.9 -26.61 19.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.382 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -84.7 -21.47 30.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.381 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 -45.48 19.37 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.108 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.26 -30.08 10.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.213 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -30.06 24.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.223 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -65.93 -31.55 72.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.603 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.75 8.25 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.438 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.8 -50.39 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.621 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.95 -22.79 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.759 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 t30 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.584 179.684 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 69' ' ' ASP . 1.4 mt . . . . . 0 CA--C 1.527 0.074 0 N-CA-C 111.476 0.176 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.95 -31.5 0.35 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.646 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -104.58 -26.0 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.671 179.33 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.637 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -71.15 -38.07 72.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.438 ' HB2' HG22 ' A' ' 66' ' ' ILE . 17.2 tt0 -64.53 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.42 -34.44 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.646 ' CD1' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -59.26 -32.39 69.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.7 m -76.71 -26.31 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.828 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -67.35 -34.7 77.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -61.68 -51.34 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.03 -35.8 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.807 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -57.64 -25.77 60.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.865 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.33 0.16 50.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.462 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -53.91 1.97 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.8 -21.67 20.61 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -105.01 -23.2 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.429 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -90.83 -2.33 57.78 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.07 -10.55 12.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.417 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -92.77 -34.04 14.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.885 ' O ' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -85.48 -22.75 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.188 178.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -82.02 -41.41 20.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.702 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -50.34 -29.2 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.14 -33.02 19.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.786 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 27' ' ' GLU . 25.8 p -72.99 -26.34 61.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -113.45 22.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.332 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.67 -55.85 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.619 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -20.26 59.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 179.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.633 HG23 ' HB3' ' A' ' 69' ' ' ASP . 11.2 mt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.545 0.212 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -42.8 -31.27 0.47 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.61 -25.55 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.771 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.633 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.3 t0 -72.22 -36.96 69.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.472 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 74' ' ' VAL . 9.7 pt20 -66.2 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.5 t -83.31 -43.3 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 72' ' ' LEU . 1.6 tt -60.51 -27.84 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.76 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -23.05 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 70' ' ' GLN . 93.0 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.888 0.375 . . . . 0.0 110.725 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.849 0.356 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -75.5 -29.07 59.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.99 -51.62 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.108 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.58 -36.03 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 15.3 mtpt -55.94 -25.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -79.28 -18.48 52.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.259 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.2 -53.6 2.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -58.13 -20.73 42.73 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -99.08 -20.75 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -86.89 -3.53 59.08 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.03 -7.25 11.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.385 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -93.63 -31.81 14.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -85.77 -21.37 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.381 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 31' ' ' THR . 1.9 t -82.88 -42.22 18.01 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.168 0.509 . . . . 0.0 109.881 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.862 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -52.91 -26.54 15.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.351 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -90.78 -28.56 18.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.669 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -76.19 -25.89 55.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.726 0.298 . . . . 0.0 110.804 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.17 22.67 12.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -93.57 -57.81 2.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.864 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.64 -22.06 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.762 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.66 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.2 mt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.581 0.229 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.96 0.8 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.93 0.395 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 m -103.81 -25.83 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.608 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.7 t0 -71.03 -37.97 72.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HG3' HG22 ' A' ' 66' ' ' ILE . 6.9 mt-30 -64.65 -31.37 72.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.461 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.89 -44.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -25.78 63.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.5 m -77.62 -24.58 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.723 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 15' ' ' LEU . 4.1 pp . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.827 0.346 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -74.89 -29.05 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.33 -51.94 65.64 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.114 179.493 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.08 -35.2 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.42 -25.95 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.754 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -77.92 -23.39 48.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.177 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -54.0 3.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 18' ' ' VAL . 3.2 pp -61.0 -18.55 58.31 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.45 0.38 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.109 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -20.84 57.81 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -95.91 -15.47 22.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.002 0.429 . . . . 0.0 110.088 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -92.4 -26.78 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 31' ' ' THR . 0.5 OUTLIER -85.3 -22.7 28.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.304 178.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -78.97 -45.29 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.51 . . . . 0.0 110.156 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -50.38 -28.73 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.268 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -29.31 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.543 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' GLU . 68.6 p -71.32 -30.74 66.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.758 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.1 18.76 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -96.61 -50.24 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.607 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -22.67 62.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.794 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.689 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 69' ' ' ASP . 11.6 mm . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.601 0.239 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -44.6 -30.0 0.83 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.937 0.399 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.683 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -108.41 -23.97 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.873 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.551 ' HB2' HG23 ' A' ' 66' ' ' ILE . 3.6 m-20 -74.17 -36.13 64.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.458 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.518 ' HB2' HG22 ' A' ' 66' ' ' ILE . 42.2 tt0 -67.41 -31.57 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.0 t -85.34 -41.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 68' ' ' THR . 6.5 mp -59.57 -27.55 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.5 m -78.91 -29.59 44.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 70' ' ' GLN . 93.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.838 0.351 . . . . 0.0 110.808 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -69.33 -28.94 66.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -62.24 -53.01 61.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.85 -34.99 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.4 -25.61 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.807 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.46 -23.11 46.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.156 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -53.37 3.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -59.27 -19.31 44.91 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.012 0.434 . . . . 0.0 110.485 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -104.5 -12.4 16.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.988 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -19.09 61.77 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.48 -13.31 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.001 0.429 . . . . 0.0 109.981 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.9 t-105 -90.34 -24.77 20.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.392 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -21.92 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.569 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 t -78.1 -46.9 19.48 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.84 -28.86 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.22 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.77 -30.06 24.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.059 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 m -62.8 -32.71 73.94 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.81 19.96 16.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.93 -43.49 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.393 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -68.32 -21.21 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.523 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 70' ' ' GLN . 18.9 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.521 0.2 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -44.82 -30.48 0.98 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.832 HG22 HD13 ' A' ' 72' ' ' LEU . 2.2 m -109.06 -22.68 12.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.847 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.577 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 t0 -74.84 -36.27 62.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.681 ' HB2' HG22 ' A' ' 66' ' ' ILE . 4.1 tt0 -67.12 -32.61 73.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.47 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.08 -41.77 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.832 HD13 HG22 ' A' ' 68' ' ' THR . 3.6 mp -60.58 -27.71 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.849 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -24.18 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 179.864 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 16' ' ' THR . 3.9 pp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.933 0.397 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.456 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.3 m -71.64 -28.82 64.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.529 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -63.88 -50.98 66.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.092 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -62.38 -36.09 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.9 mtpm? -55.49 -25.79 38.93 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.906 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -24.52 44.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.97 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.29 -54.25 3.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.1 pp -61.17 -18.7 59.53 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.965 0.412 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -114.7 -0.62 13.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.123 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -19.88 56.52 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 120.732 0.301 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -13.85 20.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.182 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -93.52 -26.29 17.22 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 31' ' ' THR . 1.2 tm-20 -87.18 -23.16 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.368 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.25 -43.21 21.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.027 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.786 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.59 -27.53 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.324 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -89.64 -29.1 19.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 27' ' ' GLU . 45.7 p -79.69 -29.67 40.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.772 0.32 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.73 8.19 37.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.487 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -85.91 -56.75 3.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.5 -21.46 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.598 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 70' ' ' GLN . 14.0 mt . . . . . 0 CA--C 1.527 0.093 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -44.2 -30.8 0.84 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.873 0.368 . . . . 0.0 111.062 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.526 HG22 ' CD1' ' A' ' 72' ' ' LEU . 3.1 m -108.71 -22.56 12.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.808 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.6 ' HB3' HG23 ' A' ' 66' ' ' ILE . 6.6 t0 -74.82 -36.27 62.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.859 0.361 . . . . 0.0 110.525 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -68.66 -31.15 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.661 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.1 t -88.33 -38.81 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.526 ' CD1' HG22 ' A' ' 68' ' ' THR . 5.8 mt -60.47 -27.94 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -79.27 -23.82 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.846 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.818 0.342 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -77.39 -30.49 53.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -64.76 -50.38 67.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.098 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.82 -35.64 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 11.8 mtpp -56.75 -25.31 54.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.041 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -15.47 56.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.33 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 -53.49 2.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -57.82 -20.3 34.94 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.067 0.46 . . . . 0.0 110.21 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -101.77 -20.64 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.693 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -97.99 -6.23 32.45 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.706 0.289 . . . . 0.0 111.301 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.11 -4.87 10.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.419 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -95.68 -30.63 13.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -85.85 -21.76 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.421 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -83.95 -43.07 15.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.019 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.69 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -54.16 -27.12 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.52 -25.59 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.448 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.3 m -77.2 -27.84 53.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.65 9.26 25.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.677 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -94.5 -53.18 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.633 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.23 -19.01 62.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.853 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.765 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' A' ' 70' ' ' GLN . 11.3 mt . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.515 0.198 . . . . 0.0 111.324 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -31.3 0.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.5 m -107.18 -23.81 12.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.4 t70 -73.31 -37.12 66.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.583 ' HB2' HG22 ' A' ' 66' ' ' ILE . 6.4 tt0 -68.41 -31.96 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -88.79 -37.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.76 -29.3 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.0 m -78.57 -23.53 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.734 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.933 0.397 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -75.4 -28.59 59.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.628 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -62.4 -51.05 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.106 179.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.04 -35.63 69.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 10.9 tttp -55.79 -26.32 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.841 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -22.46 46.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.069 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -96.05 -54.01 3.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.852 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -60.51 -18.26 50.78 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.939 0.4 . . . . 0.0 110.532 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -110.71 -7.49 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.149 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -66.24 -14.61 62.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.716 0.293 . . . . 0.0 111.454 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 22' ' ' LEU . 10.4 p90 -105.28 -10.85 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 110.162 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -93.38 -27.11 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.61 -21.05 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.395 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -80.96 -44.12 18.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.102 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.811 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -52.17 -28.61 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.335 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -90.84 -27.22 18.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.433 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.0 m -75.76 -27.66 58.16 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.59 21.73 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.298 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.811 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.0 -50.72 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.774 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -61.69 -19.79 62.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.002 0.43 . . . . 0.0 110.757 179.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.596 HG23 ' HB3' ' A' ' 69' ' ' ASP . 13.8 mt . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.493 0.187 . . . . 0.0 111.456 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -44.65 -30.27 0.89 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.916 0.389 . . . . 0.0 111.018 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 m -106.86 -23.59 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.69 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.596 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.3 t0 -74.38 -37.14 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.55 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.6 tt0 -67.56 -26.84 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.371 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -85.08 -47.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 72' ' ' LEU . 3.1 pp -63.39 -24.17 67.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.4 m -76.51 -27.54 56.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.493 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 70' ' ' GLN . 89.2 t . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.592 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 15' ' ' LEU . 4.1 pp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 m -74.03 -31.41 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.05 -52.39 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.17 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.48 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.18 -35.34 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 23.6 tttt -56.19 -24.9 44.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.989 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.92 -17.69 55.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.432 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -53.27 2.68 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -59.89 -18.99 48.8 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.926 0.394 . . . . 0.0 110.291 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -108.37 -12.27 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.082 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -19.27 58.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.694 0.283 . . . . 0.0 111.176 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -100.13 -13.0 19.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 0.0 110.138 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -92.19 -24.38 19.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.41 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.29 -21.43 29.0 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 t -79.16 -46.18 18.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.92 -28.42 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -88.68 -27.93 20.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.204 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 83.2 m -69.25 -30.12 68.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.93 10.3 41.27 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.69 -36.22 6.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.342 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -75.55 -19.67 59.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.566 179.746 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.0 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.507 0.194 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -31.81 0.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.7 m -100.62 -27.97 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.682 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.588 ' HB3' HG23 ' A' ' 66' ' ' ILE . 2.0 t0 -70.96 -37.37 72.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.48 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' A' ' 66' ' ' ILE . 11.3 mm-40 -66.66 -30.01 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.584 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.56 -41.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 72' ' ' LEU . 2.6 tt -60.23 -28.29 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 m -77.45 -21.94 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.7 t . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.737 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.8 m -74.21 -31.34 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -63.24 -51.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.109 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.39 -35.21 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 mttt -55.95 -25.45 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.979 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -21.2 46.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.16 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -53.61 3.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -58.62 -20.42 47.33 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.038 0.447 . . . . 0.0 110.189 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -100.53 -18.68 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.616 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -70.37 -12.61 61.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.679 0.276 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.67 -14.32 16.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.918 0.39 . . . . 0.0 110.001 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -90.66 -28.41 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.459 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -20.43 31.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.53 -45.34 17.6 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.298 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.95 -28.49 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.239 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -88.28 -28.23 21.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.202 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 m -69.33 -31.35 69.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.85 7.98 44.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.546 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -51.88 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -60.42 -21.7 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.761 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.568 179.602 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.616 HG23 ' HB3' ' A' ' 69' ' ' ASP . 14.3 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.55 0.214 . . . . 0.0 111.497 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -30.12 1.12 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -107.76 -24.23 11.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.616 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -73.73 -36.1 65.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.54 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.57 ' HB2' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -68.23 -30.09 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.549 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.6 t -86.01 -41.7 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.79 HD13 ' O ' ' A' ' 72' ' ' LEU . 1.1 tm? -60.03 -28.08 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.1 m -77.9 -24.26 48.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.725 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.963 0.411 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -71.81 -26.99 62.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.661 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -62.49 -51.76 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.115 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.63 -35.61 68.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -25.71 46.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.03 -20.47 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.199 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.54 -53.83 3.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.98 -19.47 43.7 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.97 0.414 . . . . 0.0 110.391 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 m -104.53 -14.25 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.995 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -11.19 60.61 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.763 0.316 . . . . 0.0 111.247 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -103.07 -14.56 16.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 110.102 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -91.14 -29.51 17.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -21.18 30.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.352 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.15 -44.48 19.8 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.791 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.03 -30.34 15.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.262 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -88.29 -28.52 21.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.315 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.5 m -72.62 -30.41 64.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.71 20.82 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.791 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -91.55 -54.76 3.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.03 -24.04 22.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.9 mt . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.574 0.226 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.7 -31.95 0.34 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.873 0.368 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.577 HG22 ' CD1' ' A' ' 72' ' ' LEU . 1.7 m -102.39 -26.71 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.648 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -70.83 -37.73 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 74' ' ' VAL . 16.6 tp60 -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.58 -44.5 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.577 ' CD1' HG22 ' A' ' 68' ' ' THR . 2.8 mp -60.63 -28.44 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.774 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -77.89 -24.61 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 70' ' ' GLN . 53.0 t . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.791 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.828 0.346 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -74.55 -28.08 60.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.739 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -62.92 -51.54 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.139 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.9 -35.18 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -25.45 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.012 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -22.73 40.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.018 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.77 -53.11 3.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.801 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.94 -19.73 45.55 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.065 0.459 . . . . 0.0 110.241 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -98.88 -17.46 18.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.717 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 p -61.62 -18.79 60.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.684 0.278 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -97.78 -14.94 20.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -90.91 -25.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.336 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.42 -20.45 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.46 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.09 -45.55 18.05 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.301 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -29.77 16.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.266 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -87.63 -28.25 21.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.259 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.3 m -69.46 -30.02 67.83 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.708 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.29 6.99 47.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.26 -51.66 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.458 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -20.33 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.671 179.767 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.669 HG22 ' HB2' ' A' ' 70' ' ' GLN . 12.8 mm . . . . . 0 C--O 1.231 0.117 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.91 -31.55 0.52 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 m -108.92 -22.36 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.777 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 t0 -73.65 -37.36 65.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.612 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.669 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -67.99 -32.41 72.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.79 -37.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.75 -28.06 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -78.72 -25.36 44.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 179.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.687 0.28 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -67.82 -36.09 79.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.74 -52.58 62.67 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.82 -35.18 66.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.51 -25.72 38.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.83 -21.89 50.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.26 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.23 -53.86 3.12 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -57.34 -21.23 34.1 Favored 'General case' 0 N--CA 1.458 -0.046 0 CA-C-O 121.133 0.492 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -95.73 -22.57 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.49 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -80.61 -8.29 59.56 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.812 0.339 . . . . 0.0 111.071 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.29 -6.17 11.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.064 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -91.41 -27.23 18.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.638 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.07 -23.31 30.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.66 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -81.67 -40.53 22.71 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.031 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -53.52 -27.67 26.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.91 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.88 -28.06 44.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.741 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.7 m -53.26 -39.2 63.69 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.739 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -177.98 36.39 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.717 0.294 . . . . 0.0 111.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -119.68 -37.11 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.524 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -77.47 -14.0 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 179.788 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.5 mt . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.58 0.228 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -41.63 -32.03 0.33 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.4 m -101.0 -28.11 12.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.582 ' HB3' HG23 ' A' ' 66' ' ' ILE . 4.1 t0 -69.85 -38.17 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.429 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.482 ' HG3' HG22 ' A' ' 66' ' ' ILE . 2.2 mt-30 -65.95 -29.38 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.615 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.24 -40.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -59.36 -29.22 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -22.76 51.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.729 179.804 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.8 m -73.51 -34.07 65.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -61.36 -51.67 67.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.068 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.24 -35.57 69.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -54.99 -25.88 32.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.768 178.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.36 -25.55 39.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.111 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -51.44 5.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.991 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 22' ' ' LEU . 3.9 pp -58.9 -17.44 24.28 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.933 0.397 . . . . 0.0 110.488 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 m -105.28 -11.84 16.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.141 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.5 p -68.07 -11.53 59.2 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.633 0.254 . . . . 0.0 111.634 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -110.47 -7.98 14.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 110.326 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -94.64 -27.52 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.897 ' O ' HG23 ' A' ' 31' ' ' THR . 26.8 mt-10 -87.92 -22.98 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.29 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -80.91 -42.41 21.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.987 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.11 -29.09 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.334 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.25 -26.67 22.22 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.742 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.897 HG23 ' O ' ' A' ' 27' ' ' GLU . 52.7 p -77.86 -31.17 51.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.67 8.71 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.583 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -90.16 -51.0 5.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.53 61.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 179.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 69' ' ' ASP . 11.2 mm . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.53 0.205 . . . . 0.0 111.412 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.94 -31.37 0.33 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.824 0.345 . . . . 0.0 111.226 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 m -104.36 -25.48 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.553 ' HB2' HG23 ' A' ' 66' ' ' ILE . 36.1 m-20 -73.48 -36.28 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.452 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -67.7 -31.52 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.9 t -79.54 -41.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.24 -30.12 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -80.02 -21.61 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 70' ' ' GLN . 32.9 t . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.691 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -68.2 -24.77 64.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -59.82 -50.83 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.231 179.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.452 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -61.22 -37.32 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD3' HD21 ' A' ' 22' ' ' LEU . 29.8 mmtt -55.97 -25.48 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.833 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.26 -20.68 43.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.148 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.42 -52.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD21 ' HD3' ' A' ' 19' ' ' LYS . 3.9 pp -57.63 -20.07 30.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.29 -17.05 16.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.854 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.5 t -77.08 -6.6 53.41 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.205 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.57 -14.32 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.204 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -90.74 -32.35 16.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.03 -20.79 34.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.356 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -79.91 -44.82 19.69 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.0 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -49.41 -32.24 11.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.21 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -88.28 -29.39 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.336 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.5 m -74.09 -28.82 61.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.2 22.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.341 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.43 -50.51 4.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -20.94 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.689 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.597 179.725 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 69' ' ' ASP . 10.3 mm . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.487 0.184 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.32 -31.82 0.26 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -103.94 -25.72 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.736 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.542 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -72.9 -36.8 67.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.504 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -68.61 -31.79 71.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.634 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -88.88 -36.85 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.81 -29.97 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.9 m -77.54 -24.05 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.729 179.756 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 15' ' ' LEU . 4.2 pp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.935 0.398 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.438 ' N ' HD12 ' A' ' 15' ' ' LEU . 11.6 m -71.48 -28.92 64.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.719 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.18 -52.62 63.07 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.14 -35.05 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -55.19 -25.55 33.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.831 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -76.61 -25.06 53.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.046 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -95.78 -54.36 3.37 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.864 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.8 pp -61.02 -19.0 60.81 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.922 0.391 . . . . 0.0 110.389 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.04 4.45 12.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.124 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -58.89 -22.19 58.9 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.758 0.313 . . . . 0.0 111.201 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.44 -13.6 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 109.983 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 6.4 t-105 -91.66 -25.49 19.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.263 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.89 ' O ' HG23 ' A' ' 31' ' ' THR . 4.2 tp10 -82.93 -23.35 33.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.399 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.08 -47.21 21.14 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.168 0.509 . . . . 0.0 110.295 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -49.96 -28.31 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.221 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.13 -30.01 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 27' ' ' GLU . 70.6 p -69.58 -29.64 67.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.804 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.45 9.0 35.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -90.84 -52.4 4.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -22.47 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.608 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.621 HG23 ' HB3' ' A' ' 69' ' ' ASP . 18.1 mt . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.617 0.246 . . . . 0.0 111.37 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -45.14 -29.91 1.03 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.885 0.374 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.6 m -108.07 -24.07 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.673 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.621 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -73.99 -36.11 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.903 0.382 . . . . 0.0 110.463 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.579 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -66.15 -32.02 73.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.339 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.73 -45.91 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.19 -26.01 68.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.709 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 m -78.21 -23.73 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 70' ' ' GLN . 92.8 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.658 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.745 0.307 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -71.76 -32.16 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.3 pt20 -60.7 -52.48 64.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.8 0.333 . . . . 0.0 110.172 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.97 -35.05 66.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.62 -25.42 38.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.8 178.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.36 -22.85 51.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.113 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -98.3 -54.26 3.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.95 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.7 pp -60.82 -18.98 58.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.42 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.88 -1.39 13.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.215 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -59.51 -20.8 58.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 111.24 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.63 -15.72 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 110.094 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -92.28 -26.46 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.306 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -85.94 -20.4 29.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.288 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 31' ' ' THR . 2.4 t -80.62 -45.65 16.93 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.165 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.51 -26.84 14.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.364 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -92.65 -27.03 17.55 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.608 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.539 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -79.27 -26.11 42.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.79 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.62 7.0 42.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.51 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.51 -36.89 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -20.09 60.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.519 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 69' ' ' ASP . 12.4 mm . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.435 0.16 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.78 -31.05 0.44 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -106.94 -23.87 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.861 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.586 ' HB2' HG23 ' A' ' 66' ' ' ILE . 6.2 m-20 -74.0 -36.39 64.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 0.0 110.544 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.414 ' HB3' HG22 ' A' ' 66' ' ' ILE . 1.2 pt20 -68.11 -30.31 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.725 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.61 -39.88 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.27 -28.28 67.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -78.15 -23.24 47.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.76 179.8 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.0 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.514 0.197 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -74.11 -25.43 59.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.934 0.397 . . . . 0.0 110.402 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.94 -27.69 57.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.754 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.0 m -60.47 -36.89 79.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.75 -53.23 57.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.037 179.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.1 -34.51 63.82 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 ttpt -55.2 -25.74 34.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.752 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -77.85 -24.95 48.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.081 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 -53.53 3.87 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -58.07 -20.51 40.02 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 120.995 0.426 . . . . 0.0 110.241 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 t -95.1 -20.4 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.656 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.9 p -67.85 -13.11 61.87 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.736 0.303 . . . . 0.0 111.224 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -113.03 -5.86 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.998 0.428 . . . . 0.0 110.075 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -91.98 -23.98 19.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.471 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 31' ' ' THR . 10.2 tt0 -82.39 -23.6 34.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.491 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.32 -47.47 19.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.162 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.76 -28.01 5.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.303 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -86.7 -30.27 21.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.523 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' GLU . 70.3 p -68.75 -28.71 67.05 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.576 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.54 22.36 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.71 -55.84 2.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.533 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.64 -20.85 61.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.672 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -59.76 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.578 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -70.06 -36.01 74.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.695 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.75 -21.6 42.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.216 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -67.95 -32.85 73.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.734 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -93.63 15.05 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.1 41.15 32.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.812 0.339 . . . . 0.0 111.176 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.617 ' CD2' HD13 ' A' ' 49' ' ' LEU . 3.5 t80 42.8 32.68 0.41 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.284 0.564 . . . . 0.0 111.372 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.638 ' HA ' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -43.57 -49.36 18.64 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.066 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 42' ' ' LEU . 51.7 Cg_exo -38.99 -28.52 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.964 2.443 . . . . 0.0 113.961 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 41' ' ' TYR . . . -163.42 25.68 0.08 Allowed 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.917 HG23 ' CB ' ' A' ' 49' ' ' LEU . 7.5 p -76.12 -36.56 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.046 0.451 . . . . 0.0 110.055 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -19.01 61.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.353 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -118.22 16.83 14.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.297 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -155.23 -53.69 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.192 -0.203 . . . . 0.0 111.476 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.917 ' CB ' HG23 ' A' ' 45' ' ' VAL . 2.9 mp -88.82 42.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.269 0.557 . . . . 0.0 109.749 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 179.96 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.056 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -113.44 -34.26 5.65 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.645 0.259 . . . . 0.0 111.114 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.6 tt -91.02 15.42 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.12 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.23 -45.97 1.0 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.975 0.416 . . . . 0.0 110.552 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m 56.58 48.22 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.109 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt 55.05 20.92 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.9 t -53.78 -48.23 69.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 0.0 110.452 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.6 m -146.35 21.33 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.889 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.36 -46.93 25.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.065 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.67 -23.51 61.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.632 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.42 -28.27 52.58 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -71.5 0.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 62' ' ' THR . 53.5 m 59.59 7.72 1.09 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.352 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -42.55 -28.79 0.24 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.752 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -51.01 -26.78 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.2 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.88 -4.66 36.2 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.815 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 70' ' ' GLN . 15.3 mt -112.31 -12.26 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 CA-C-N 116.945 0.373 . . . . 0.0 111.527 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -43.4 -30.88 0.58 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.951 0.405 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.9 m -107.89 -23.37 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.739 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.598 ' HB3' HG23 ' A' ' 66' ' ' ILE . 3.8 t0 -74.01 -36.56 64.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -68.67 -31.56 70.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.75 -36.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.38 -29.63 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.1 m -78.14 -25.88 47.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t -57.84 -31.23 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -23.47 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -175.4 113.93 0.14 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.696 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.22 -6.32 25.13 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.043 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 44.33 31.17 0.54 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.987 0.422 . . . . 0.0 111.429 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.855 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.421 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.687 0.279 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER 82.45 -44.33 0.14 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 -179.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -80.07 -32.24 39.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.33 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.1 m -70.61 -27.53 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.1 pt20 -61.16 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.175 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.47 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.26 -35.03 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -55.69 -25.48 40.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.756 178.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.68 -23.31 45.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.099 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.411 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -95.56 -53.85 3.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.932 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -60.0 -19.0 50.1 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.973 0.416 . . . . 0.0 110.461 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -108.03 -7.76 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.119 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.411 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -61.38 -18.5 59.05 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.311 . . . . 0.0 111.239 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -99.51 -14.11 19.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 0.0 109.992 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -90.9 -26.61 19.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.382 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -84.7 -21.47 30.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.381 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 -45.48 19.37 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.108 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.26 -30.08 10.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.213 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -30.06 24.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.223 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 m -65.93 -31.55 72.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.603 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.521 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -98.75 8.25 45.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.438 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.8 -50.39 5.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.621 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -58.95 -22.79 60.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.759 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -75.68 -64.48 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.584 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.898 ' O ' HG23 ' A' ' 40' ' ' THR . 4.2 pp -57.75 -34.92 70.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.793 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' N ' HD12 ' A' ' 36' ' ' LEU . 2.8 m-85 -58.78 -18.77 34.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HA ' ' CD ' ' A' ' 43' ' ' PRO . 3.7 mm-40 -71.05 -29.19 65.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.78 24.07 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.414 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 36' ' ' LEU . 60.9 p -108.39 -77.03 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -131.15 33.01 4.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.589 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp 57.19 104.42 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.102 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.821 ' HG2' HG23 ' A' ' 45' ' ' VAL . 84.5 Cg_endo -87.69 -2.22 7.43 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.854 2.369 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 43' ' ' PRO . . . 68.73 11.67 8.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.412 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.927 HG12 ' HB2' ' A' ' 49' ' ' LEU . 2.2 t -74.61 -31.9 28.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.95 -25.8 68.53 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.555 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -105.27 -19.22 13.87 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.732 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -95.22 -47.87 6.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.927 ' HB2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.79 -15.45 61.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.413 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.36 -28.14 12.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.601 0.238 . . . . 0.0 111.52 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.01 -23.52 15.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.718 0.294 . . . . 0.0 111.355 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.7 tp -88.27 14.18 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.221 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 0.2 OUTLIER -107.37 -48.31 3.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 110.507 179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 m 60.5 54.6 3.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.119 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mttm 58.04 20.18 6.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.448 ' HB2' ' CD2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -50.13 -43.15 51.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.011 0.434 . . . . 0.0 110.357 179.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 57' ' ' THR . 5.5 m -149.15 21.04 0.97 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.802 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.79 -42.03 35.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.91 -26.85 65.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.424 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -31.24 70.57 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.417 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.6 p -93.19 -72.62 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.722 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 62' ' ' THR . 54.4 m 59.99 7.64 1.22 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.338 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.765 ' HA ' HD12 ' A' ' 66' ' ' ILE . 9.0 m-85 -42.17 -29.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.923 0.392 . . . . 0.0 110.79 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.3 m -50.37 -26.78 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.172 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.21 -14.83 56.92 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.657 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 63' ' ' TYR . 1.4 mt -108.85 -14.76 9.84 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-N 116.896 0.348 . . . . 0.0 111.476 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -41.95 -31.5 0.35 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.95 0.405 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.646 HG22 ' CD1' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -104.58 -26.0 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.671 179.33 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.637 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -71.15 -38.07 72.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.385 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.438 ' HB2' HG22 ' A' ' 66' ' ' ILE . 17.2 tt0 -64.53 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -89.42 -34.44 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.861 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.646 ' CD1' HG22 ' A' ' 68' ' ' THR . 0.8 OUTLIER -59.26 -32.39 69.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.7 m -76.71 -26.31 54.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.72 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.6 t -57.87 -31.04 39.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.44 -23.86 41.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.428 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -170.51 112.84 0.43 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.34 -6.11 26.69 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.963 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 44.53 31.01 0.56 Allowed 'General case' 0 C--O 1.23 0.042 0 CA-C-O 120.969 0.414 . . . . 0.0 111.446 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.857 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.451 ' N ' ' HG1' ' A' ' 16' ' ' THR . 69.7 m . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.518 0.199 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -75.78 -23.9 55.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.868 0.365 . . . . 0.0 110.391 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.02 -29.3 32.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.857 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.451 ' HG1' ' N ' ' A' ' 13' ' ' THR . 16.2 m -67.35 -34.7 77.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.45 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -61.68 -51.34 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.181 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.03 -35.8 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.807 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -57.64 -25.77 60.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.865 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.33 0.16 50.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.462 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.67 -53.91 1.97 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -55.8 -21.67 20.61 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.114 0.483 . . . . 0.0 110.089 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -105.01 -23.2 12.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.429 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -90.83 -2.33 57.78 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.713 0.292 . . . . 0.0 111.186 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -114.07 -10.55 12.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.417 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -92.77 -34.04 14.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.885 ' O ' HG23 ' A' ' 31' ' ' THR . 0.1 OUTLIER -85.48 -22.75 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.188 178.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -82.02 -41.41 20.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.702 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -50.34 -29.2 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.238 179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.14 -33.02 19.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.786 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.885 HG23 ' O ' ' A' ' 27' ' ' GLU . 25.8 p -72.99 -26.34 61.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.668 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -113.45 22.47 14.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.332 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.67 -55.85 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.619 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.51 -20.26 59.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -72.25 -60.51 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.613 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 8.5 mt -64.22 -44.22 92.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -56.8 -21.67 30.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.266 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.73 -50.09 22.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -98.91 30.86 3.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.7 m -149.48 -45.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.019 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.71 32.27 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 tp -110.57 91.66 12.57 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -86.13 34.09 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.844 2.362 . . . . 0.0 112.763 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.96 6.42 4.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.564 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.674 ' CG2' HD12 ' A' ' 49' ' ' LEU . 5.8 p -62.64 -29.92 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.455 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -75.75 -22.9 56.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.664 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -121.78 28.89 7.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.616 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -163.51 -57.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.674 HD12 ' CG2' ' A' ' 45' ' ' VAL . 5.3 tp 48.51 32.68 3.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 67.96 28.62 6.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.987 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -116.98 -26.09 6.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.186 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.44 15.34 9.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.011 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.96 -44.25 4.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.459 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.54 50.63 12.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 mttt 60.23 18.46 7.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -53.33 -46.9 69.66 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.062 0.458 . . . . 0.0 110.461 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 57' ' ' THR . 6.0 m -146.89 21.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.828 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.63 -40.97 32.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.488 . . . . 0.0 109.944 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.07 -21.88 60.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.692 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.3 mtm -79.06 -24.73 43.35 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.6 m -107.32 34.86 3.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.21 -14.04 15.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.983 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -45.92 -27.46 0.89 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.843 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.4 m -48.23 -27.78 2.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.413 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -108.62 -10.09 25.72 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.591 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.633 HG23 ' HB3' ' A' ' 69' ' ' ASP . 11.2 mt -101.84 -12.17 8.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.693 0.247 . . . . 0.0 111.368 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -42.8 -31.27 0.47 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.61 -25.55 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.771 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.633 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.3 t0 -72.22 -36.96 69.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.472 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 74' ' ' VAL . 9.7 pt20 -66.2 -30.68 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.538 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.5 t -83.31 -43.3 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.732 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 72' ' ' LEU . 1.6 tt -60.51 -27.84 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.76 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -23.05 48.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 70' ' ' GLN . 93.0 t -58.39 -30.8 41.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.888 0.375 . . . . 0.0 110.725 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -24.03 33.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.361 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -177.68 115.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.769 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.53 -8.8 24.2 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.064 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 44.12 31.18 0.51 Allowed 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.903 0.382 . . . . 0.0 111.373 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.931 0.396 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -107.05 -38.29 6.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.302 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.47 -28.22 26.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.425 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -75.5 -29.07 59.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.99 -51.62 66.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.108 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.58 -36.03 70.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 15.3 mtpt -55.94 -25.7 44.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -79.28 -18.48 52.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.259 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.2 -53.6 2.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.4 pp -58.13 -20.73 42.73 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.038 0.447 . . . . 0.0 110.126 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 t -99.08 -20.75 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.585 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -86.89 -3.53 59.08 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -117.03 -7.25 11.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.385 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -93.63 -31.81 14.34 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -85.77 -21.37 28.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.381 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 31' ' ' THR . 1.9 t -82.88 -42.22 18.01 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.168 0.509 . . . . 0.0 109.881 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.862 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -52.91 -26.54 15.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.351 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -90.78 -28.56 18.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.669 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -76.19 -25.89 55.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.726 0.298 . . . . 0.0 110.804 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.746 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -117.17 22.67 12.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.862 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -93.57 -57.81 2.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.864 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.64 -22.06 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -77.32 -61.7 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.8 pp -60.25 -35.46 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' N ' HD12 ' A' ' 36' ' ' LEU . 1.8 t80 -68.89 -12.28 61.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.317 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -102.46 0.54 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.316 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -149.71 26.55 0.82 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.767 0.317 . . . . 0.0 111.174 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.3 m -130.38 -58.72 1.05 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.973 0.416 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -115.93 30.54 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.6 OUTLIER 172.87 85.95 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.677 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -86.27 36.38 0.5 Allowed 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.927 2.418 . . . . 0.0 112.92 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.04 17.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.519 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.78 HG12 ' CB ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -77.16 -34.17 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -68.16 -22.36 64.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.025 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.59 6.16 19.85 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.989 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -130.8 -47.25 1.04 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.78 ' CB ' HG12 ' A' ' 45' ' ' VAL . 4.1 tt -77.98 -2.11 35.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.108 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.81 -18.46 11.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.501 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.32 -41.42 0.64 Allowed 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -85.93 14.33 6.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.635 0.255 . . . . 0.0 111.541 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.659 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -137.11 -44.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.565 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 m 52.33 40.81 29.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.271 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? 52.77 21.73 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.699 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 m -56.94 -55.75 30.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.019 0.438 . . . . 0.0 110.23 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 t -132.13 17.45 4.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.256 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 53' ' ' TYR . . . -73.71 -47.91 35.9 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.56 -17.59 55.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.343 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -21.47 22.08 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.9 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 p -92.28 17.0 10.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.344 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.55 -15.87 23.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 110.506 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -47.16 -27.3 1.39 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.56 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -26.99 3.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.359 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -111.48 -6.57 25.21 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.642 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.66 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.2 mt -106.02 -11.86 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 116.799 0.299 . . . . 0.0 111.279 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -44.02 -30.96 0.8 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.93 0.395 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.4 m -103.81 -25.83 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.608 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.66 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.7 t0 -71.03 -37.97 72.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.349 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.511 ' HG3' HG22 ' A' ' 66' ' ' ILE . 6.9 mt-30 -64.65 -31.37 72.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.461 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.89 -44.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.78 -25.78 63.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.5 m -77.62 -24.58 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -58.47 -30.77 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.723 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.48 -23.59 40.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.447 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.51 110.58 2.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.551 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.92 -7.0 31.16 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.755 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 44.25 31.23 0.54 Allowed 'General case' 0 C--O 1.23 0.074 0 CA-C-O 120.894 0.378 . . . . 0.0 111.383 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.472 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.935 0.398 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.91 -36.22 5.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.273 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.1 pp -84.81 -27.19 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.509 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -74.89 -29.05 60.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -62.33 -51.94 65.64 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.114 179.493 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.08 -35.2 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.42 -25.95 38.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.754 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -77.92 -23.39 48.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.177 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -54.0 3.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 18' ' ' VAL . 3.2 pp -61.0 -18.55 58.31 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.45 0.38 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.109 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -20.84 57.81 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -95.91 -15.47 22.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.002 0.429 . . . . 0.0 110.088 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -92.4 -26.78 17.88 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.894 ' O ' HG23 ' A' ' 31' ' ' THR . 0.5 OUTLIER -85.3 -22.7 28.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.304 178.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -78.97 -45.29 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.17 0.51 . . . . 0.0 110.156 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -50.38 -28.73 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.268 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -29.31 22.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.543 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' GLU . 68.6 p -71.32 -30.74 66.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.758 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.607 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -107.1 18.76 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.276 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -96.61 -50.24 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.607 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -22.67 62.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.794 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -76.61 -64.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.614 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 32' ' ' ALA . 4.1 pp -58.86 -32.08 69.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' HA ' HG22 ' A' ' 40' ' ' THR . 8.4 m-85 -69.88 -12.03 61.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.375 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -88.57 -29.38 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -98.97 15.41 25.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.346 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 37' ' ' TYR . 15.3 t -131.57 -35.89 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 111.292 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -96.39 31.55 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.795 ' O ' HG12 ' A' ' 45' ' ' VAL . 11.0 mt -60.59 171.2 1.08 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HD3' HD23 ' A' ' 42' ' ' LEU . 26.5 Cg_exo -62.49 -10.1 17.94 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.699 2.266 . . . . 0.0 112.845 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.86 -6.92 50.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 0.0 111.456 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 42' ' ' LEU . 9.7 p -63.46 -24.58 36.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.067 0.46 . . . . 0.0 110.036 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -77.34 -22.74 51.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.677 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -122.12 30.09 6.75 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -165.45 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.702 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 49' ' ' LEU . 1.3 tt 46.57 40.02 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.9 mmt-85 62.39 32.66 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.834 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -109.0 -24.52 11.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 tp -89.01 14.92 9.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.089 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.941 ' CG ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -106.33 -43.85 4.68 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.0 110.485 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t 48.55 34.22 4.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? 54.14 19.53 2.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.881 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -63.8 -64.05 1.0 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.176 0.512 . . . . 0.0 109.787 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.462 HG23 ' HE1' ' A' ' 53' ' ' TYR . 10.6 t -131.66 18.78 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.987 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.941 ' HB2' ' CG ' ' A' ' 53' ' ' TYR . . . -75.37 -40.79 57.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.651 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.07 -22.33 49.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.627 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 ttp -84.3 -26.6 28.42 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.861 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.0 m -109.01 35.41 3.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.26 -15.65 15.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -46.45 -27.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.8 m -49.77 -27.06 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.46 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.35 0.42 20.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.698 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 69' ' ' ASP . 11.6 mm -113.21 -10.74 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 116.827 0.314 . . . . 0.0 111.284 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -44.6 -30.0 0.83 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.937 0.399 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.683 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -108.41 -23.97 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.873 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.551 ' HB2' HG23 ' A' ' 66' ' ' ILE . 3.6 m-20 -74.17 -36.13 64.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.835 0.35 . . . . 0.0 110.458 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.518 ' HB2' HG22 ' A' ' 66' ' ' ILE . 42.2 tt0 -67.41 -31.57 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.0 t -85.34 -41.92 15.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 68' ' ' THR . 6.5 mp -59.57 -27.55 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.5 m -78.91 -29.59 44.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 70' ' ' GLN . 93.7 t -57.96 -31.44 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.633 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.11 -24.23 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.29 114.95 0.07 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.7 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.18 -8.73 22.9 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.009 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 44.39 30.86 0.52 Allowed 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 120.851 0.358 . . . . 0.0 111.381 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.89 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.596 ' N ' ' HG1' ' A' ' 16' ' ' THR . 70.9 m . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.622 0.248 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -25.18 50.58 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.877 0.37 . . . . 0.0 110.333 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -83.42 -26.62 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.808 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.596 ' HG1' ' N ' ' A' ' 13' ' ' THR . 7.1 m -69.33 -28.94 66.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.2 pt20 -62.24 -53.01 61.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.85 -34.99 65.32 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.4 -25.61 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.807 178.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.46 -23.11 46.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.156 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.41 -53.37 3.62 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -59.27 -19.31 44.91 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 121.012 0.434 . . . . 0.0 110.485 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -104.5 -12.4 16.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.988 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -19.09 61.77 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.48 -13.31 18.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.001 0.429 . . . . 0.0 109.981 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 43.9 t-105 -90.34 -24.77 20.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.392 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -21.92 33.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.569 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 t -78.1 -46.9 19.48 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.84 -28.86 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.22 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.77 -30.06 24.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.059 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 m -62.8 -32.71 73.94 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.475 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.81 19.96 16.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.93 -43.49 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.393 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -68.32 -21.21 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.523 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -59.74 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.6 -42.26 98.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.758 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -64.07 -15.28 59.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.437 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -86.29 -18.69 31.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.068 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.73 ' O ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -104.62 14.42 29.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.443 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -175.66 -30.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.704 0.288 . . . . 0.0 111.5 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.475 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 40.6 t80 46.32 30.32 1.01 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.242 0.544 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.562 HD12 ' O ' ' A' ' 40' ' ' THR . 1.7 mp -158.28 130.32 4.13 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.16 52.01 4.0 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.617 2.211 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 60.54 18.09 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.471 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG23 ' HG ' ' A' ' 49' ' ' LEU . 7.3 p -69.24 -30.81 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 0.0 110.571 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.93 -21.07 51.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.761 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -125.53 31.33 5.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -171.51 -61.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.009 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.572 ' HG ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER 49.11 29.64 2.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.903 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 66.31 32.9 7.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.696 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -113.15 -18.82 12.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.33 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 48' ' ' LYS . 4.7 mt -92.76 19.69 7.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.726 0.298 . . . . 0.0 111.213 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 -49.38 1.75 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.956 0.408 . . . . 0.0 110.68 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m 58.59 52.19 7.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.966 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.8 tptt 55.46 21.79 4.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.0 t -55.25 -50.11 70.31 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.986 0.422 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -147.18 21.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.031 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.26 -38.04 27.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.098 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.96 -19.04 52.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.714 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -28.6 25.25 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.9 m -106.43 33.54 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.73 -15.69 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -47.05 -28.18 1.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -50.88 -26.94 6.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.993 0.425 . . . . 0.0 110.363 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -117.7 2.97 17.66 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.497 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 70' ' ' GLN . 18.9 mt -115.6 -9.86 12.21 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.706 0.253 . . . . 0.0 111.484 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -44.82 -30.48 0.98 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.893 0.377 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.832 HG22 HD13 ' A' ' 72' ' ' LEU . 2.2 m -109.06 -22.68 12.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.847 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.577 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 t0 -74.84 -36.27 62.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.866 0.365 . . . . 0.0 110.473 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.681 ' HB2' HG22 ' A' ' 66' ' ' ILE . 4.1 tt0 -67.12 -32.61 73.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.47 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.08 -41.77 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.832 HD13 HG22 ' A' ' 68' ' ' THR . 3.6 mp -60.58 -27.71 67.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.849 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -24.18 49.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.4 -30.85 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.688 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 mt -56.52 -23.61 40.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -175.02 114.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.748 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.24 -8.26 24.86 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.001 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 44.29 30.98 0.51 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.889 0.376 . . . . 0.0 111.418 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.94 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.475 0.179 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 67.84 15.33 9.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.646 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 16' ' ' THR . 3.9 pp -112.28 -38.05 4.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.456 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.3 m -71.64 -28.82 64.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.529 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -63.88 -50.98 66.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.092 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -62.38 -36.09 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 2.9 mtpm? -55.49 -25.79 38.93 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.906 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -24.52 44.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.97 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.29 -54.25 3.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.407 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.1 pp -61.17 -18.7 59.53 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.965 0.412 . . . . 0.0 110.382 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -114.7 -0.62 13.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.123 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -19.88 56.52 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-O 120.732 0.301 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -13.85 20.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.953 0.406 . . . . 0.0 110.182 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -93.52 -26.29 17.22 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.886 ' O ' HG23 ' A' ' 31' ' ' THR . 1.2 tm-20 -87.18 -23.16 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.368 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.25 -43.21 21.78 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.193 0.521 . . . . 0.0 110.027 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.786 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.59 -27.53 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.324 179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -89.64 -29.1 19.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.823 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 27' ' ' GLU . 45.7 p -79.69 -29.67 40.84 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.772 0.32 . . . . 0.0 110.781 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.518 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -103.73 8.19 37.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.487 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.786 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -85.91 -56.75 3.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.788 0.328 . . . . 0.0 110.892 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.5 -21.46 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -61.27 2.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.598 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 36' ' ' LEU . 3.4 pp -59.03 -37.23 76.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.51 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -73.64 -8.12 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.364 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -97.73 -24.84 15.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.76 0.314 . . . . 0.0 111.194 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -128.55 13.76 6.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.634 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.97 11.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.46 ' CD1' ' CE1' ' A' ' 37' ' ' TYR . 1.2 t80 -142.9 31.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.885 0.374 . . . . 0.0 110.8 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 2.8 mp -134.51 -68.01 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.178 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 42' ' ' LEU . 72.9 Cg_endo -74.01 58.4 4.16 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.218 1.945 . . . . 0.0 112.324 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.801 ' HB1' ' HG3' ' A' ' 48' ' ' LYS . . . -169.12 30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.65 ' O ' HD12 ' A' ' 49' ' ' LEU . 7.3 p -78.3 -23.25 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.586 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -85.29 -22.76 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.681 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 7.7 mm-40 -105.21 -29.2 10.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.889 0.376 . . . . 0.0 110.703 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.801 ' HG3' ' HB1' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -113.28 -60.64 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER 60.78 11.98 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.009 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER 164.23 -44.11 0.0 OUTLIER 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.966 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER 161.21 34.66 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.949 0.404 . . . . 0.0 110.61 -179.59 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 48' ' ' LYS . 1.6 mt -78.7 5.41 11.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.415 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -94.52 -39.96 10.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.692 179.665 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 t 55.94 46.61 21.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp 57.09 19.14 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 t -57.2 -52.67 64.36 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.056 0.455 . . . . 0.0 110.364 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.626 HG22 ' OG ' ' A' ' 61' ' ' SER . 6.0 m -149.39 22.72 0.93 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.829 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB2' ' HD2' ' A' ' 53' ' ' TYR . . . -75.86 -47.37 25.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.17 -19.0 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.863 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.0 ttt -89.46 -26.74 20.79 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.834 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.626 ' OG ' HG22 ' A' ' 57' ' ' THR . 49.6 m -108.42 34.12 3.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.29 -16.7 16.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -46.85 -27.69 1.32 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.6 m -50.01 -26.37 4.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.456 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -110.73 -3.34 28.61 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.765 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' HB2' ' A' ' 70' ' ' GLN . 14.0 mt -112.59 -11.15 11.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-N 116.897 0.349 . . . . 0.0 111.461 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -44.2 -30.8 0.84 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.873 0.368 . . . . 0.0 111.062 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.526 HG22 ' CD1' ' A' ' 72' ' ' LEU . 3.1 m -108.71 -22.56 12.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.808 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.6 ' HB3' HG23 ' A' ' 66' ' ' ILE . 6.6 t0 -74.82 -36.27 62.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.859 0.361 . . . . 0.0 110.525 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.682 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -68.66 -31.15 70.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.661 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.1 t -88.33 -38.81 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.526 ' CD1' HG22 ' A' ' 68' ' ' THR . 5.8 mt -60.47 -27.94 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -79.27 -23.82 43.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.0 t -58.05 -32.24 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.8 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tp -56.0 -25.01 42.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.507 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -177.49 115.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.832 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.73 -8.6 23.83 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.079 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 44.31 30.93 0.51 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.915 0.388 . . . . 0.0 111.38 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.935 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.948 0.404 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -111.24 -35.84 5.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.327 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.63 -27.74 23.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.426 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -77.39 -30.49 53.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -64.76 -50.38 67.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.098 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 14' ' ' PHE . 1.8 t -62.82 -35.64 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.343 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 11.8 mtpp -56.75 -25.31 54.7 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.041 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.38 -15.47 56.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.33 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 -53.49 2.64 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -57.82 -20.3 34.94 Favored 'General case' 0 N--CA 1.457 -0.094 0 CA-C-O 121.067 0.46 . . . . 0.0 110.21 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -101.77 -20.64 14.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.693 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.3 t -97.99 -6.23 32.45 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.706 0.289 . . . . 0.0 111.301 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -118.11 -4.87 10.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.419 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -95.68 -30.63 13.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -85.85 -21.76 27.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.421 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -83.95 -43.07 15.61 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.019 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.69 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -54.16 -27.12 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.246 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.52 -25.59 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.448 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.3 m -77.2 -27.84 53.68 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -109.65 9.26 25.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.677 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -94.5 -53.18 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.633 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -62.23 -19.01 62.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.853 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -74.95 -59.29 2.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.765 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.7 pp -71.75 -38.17 70.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.19 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' HA ' HG22 ' A' ' 40' ' ' THR . 19.8 m-85 -68.09 -10.17 51.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.602 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -93.92 -14.7 25.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.426 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -142.09 31.2 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 37' ' ' TYR . 11.4 t -116.96 -55.42 2.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.739 0.304 . . . . 0.0 111.241 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.534 ' N ' HG23 ' A' ' 40' ' ' THR . 0.4 OUTLIER -161.82 29.02 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.892 0.377 . . . . 0.0 111.452 -179.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' HB ' ' A' ' 45' ' ' VAL . 94.5 mt -157.99 106.26 1.74 Allowed Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.45 -49.06 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.315 2.01 . . . . 0.0 112.143 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.28 18.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.435 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.925 HG12 ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -79.08 -31.13 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.9 -23.16 64.16 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.86 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -111.3 7.2 20.96 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.814 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -129.22 -45.93 1.23 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.925 ' HB2' HG12 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -56.66 -28.17 60.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.021 179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -104.79 -34.58 8.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.61 -43.48 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.8 12.46 17.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.037 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.454 ' C ' ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -115.17 -31.14 6.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.471 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 32.3 t -75.32 20.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.251 0.548 . . . . 0.0 111.651 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 53' ' ' TYR . 1.9 tppt? -149.57 -15.83 0.28 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.432 178.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 m -85.49 -51.48 6.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 15.62 12.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.832 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 54' ' ' SER . . . -79.85 -54.48 5.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.66 -20.59 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.603 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 19.6 tpp -87.58 -29.9 20.92 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.913 0.387 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -78.38 -63.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.963 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 62' ' ' THR . 54.5 m 59.85 6.56 0.92 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -41.1 -29.21 0.11 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -49.13 -28.31 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.036 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.72 -23.64 76.22 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.189 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' A' ' 70' ' ' GLN . 11.3 mt -109.72 -14.62 10.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.515 0.198 . . . . 0.0 111.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -31.3 0.43 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.5 m -107.18 -23.81 12.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.4 t70 -73.31 -37.12 66.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.541 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.583 ' HB2' HG22 ' A' ' 66' ' ' ILE . 6.4 tt0 -68.41 -31.96 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.695 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -88.79 -37.06 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.76 -29.3 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.0 m -78.57 -23.53 46.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.28 -30.63 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.734 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.2 mt -55.57 -23.83 29.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.433 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.04 112.77 1.18 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.618 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.23 -8.25 28.88 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.873 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 44.16 31.2 0.52 Allowed 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.884 0.373 . . . . 0.0 111.354 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.864 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.852 0.358 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.1 -36.13 5.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.31 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -85.6 -28.45 24.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.451 179.449 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 m -75.4 -28.59 59.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.628 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -62.4 -51.05 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.106 179.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.04 -35.63 69.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 10.9 tttp -55.79 -26.32 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.841 178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.75 -22.46 46.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.069 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -96.05 -54.01 3.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.852 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -60.51 -18.26 50.78 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.939 0.4 . . . . 0.0 110.532 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -110.71 -7.49 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.149 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.4 OUTLIER -66.24 -14.61 62.2 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.716 0.293 . . . . 0.0 111.454 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 22' ' ' LEU . 10.4 p90 -105.28 -10.85 16.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 110.162 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -93.38 -27.11 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.61 -21.05 27.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.395 179.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -80.96 -44.12 18.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.102 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.811 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -52.17 -28.61 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.335 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -90.84 -27.22 18.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.433 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.0 m -75.76 -27.66 58.16 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.754 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -114.59 21.73 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.298 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.811 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.0 -50.72 4.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.0 110.774 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -61.69 -19.79 62.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -80.27 -62.24 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.002 0.43 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 32' ' ' ALA . 4.2 pp -64.23 -29.22 70.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' N ' HD12 ' A' ' 36' ' ' LEU . 73.7 t80 -84.17 3.23 36.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.32 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -109.59 -23.36 11.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.647 0.26 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.48 30.65 1.72 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.304 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.63 -43.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.836 0.35 . . . . 0.0 111.257 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -111.73 32.79 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.063 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' CB ' ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -143.82 -57.18 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.428 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 42' ' ' LEU . 7.1 Cg_endo -87.09 46.19 1.39 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.786 2.324 . . . . 0.0 112.433 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' HB3' HD23 ' A' ' 49' ' ' LEU . . . -131.18 4.13 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.772 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.563 HG23 ' HG2' ' A' ' 50' ' ' ARG . 2.5 p -60.96 -33.54 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.015 0.436 . . . . 0.0 109.993 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -66.9 -23.84 66.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.937 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -87.5 -55.07 3.95 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.549 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.92 48.88 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.472 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD23 ' HB3' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -98.87 31.33 3.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 179.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.563 ' HG2' HG23 ' A' ' 45' ' ' VAL . 4.8 ptm85 179.7 -37.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -71.91 -32.21 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 tp -89.22 11.98 17.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.07 -37.36 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.451 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.4 m 54.99 40.64 32.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.983 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt 59.97 16.07 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.956 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 m -60.96 -55.99 26.45 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.973 0.416 . . . . 0.0 110.347 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 m -144.64 21.82 1.65 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.892 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.96 -36.86 30.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.156 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.56 -21.76 48.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.835 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.0 mtp -83.65 -25.61 30.61 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.1 m -112.37 37.24 3.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -15.98 14.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -46.63 -28.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.943 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 m -50.29 -26.61 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.437 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.28 1.37 20.73 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.672 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.596 HG23 ' HB3' ' A' ' 69' ' ' ASP . 13.8 mt -113.57 -11.76 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 116.801 0.3 . . . . 0.0 111.456 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -44.65 -30.27 0.89 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.916 0.389 . . . . 0.0 111.018 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 m -106.86 -23.59 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.69 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.596 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.3 t0 -74.38 -37.14 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.885 0.374 . . . . 0.0 110.55 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.6 tt0 -67.56 -26.84 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.371 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.6 t -85.08 -47.9 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 72' ' ' LEU . 3.1 pp -63.39 -24.17 67.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.4 m -76.51 -27.54 56.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.493 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 70' ' ' GLN . 89.2 t -60.07 -37.08 71.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.592 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.5 mt -61.18 -20.2 62.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -162.57 107.16 1.15 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.144 0.497 . . . . 0.0 110.453 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.52 -7.13 18.2 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.448 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 44.22 31.33 0.54 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.927 0.394 . . . . 0.0 111.394 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.711 ' N ' ' HG1' ' A' ' 16' ' ' THR . 64.7 m . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.598 0.237 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -78.11 -25.49 47.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.838 0.352 . . . . 0.0 110.326 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.1 pp -87.54 -27.41 22.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.711 ' HG1' ' N ' ' A' ' 13' ' ' THR . 4.5 m -74.03 -31.41 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.48 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.05 -52.39 62.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.17 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.48 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.18 -35.34 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 23.6 tttt -56.19 -24.9 44.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.989 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.92 -17.69 55.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.432 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -53.27 2.68 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.2 pp -59.89 -18.99 48.8 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.926 0.394 . . . . 0.0 110.291 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -108.37 -12.27 15.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.082 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -19.27 58.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.694 0.283 . . . . 0.0 111.176 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -100.13 -13.0 19.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 0.0 110.138 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -92.19 -24.38 19.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.41 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.29 -21.43 29.0 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.465 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 t -79.16 -46.18 18.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.317 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.92 -28.42 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -88.68 -27.93 20.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.204 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 83.2 m -69.25 -30.12 68.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.73 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.93 10.3 41.27 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.524 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.69 -36.22 6.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.935 0.397 . . . . 0.0 110.342 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -75.55 -19.67 59.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.523 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -76.58 -56.23 4.81 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.095 0.474 . . . . 0.0 110.566 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 mt -64.56 -44.12 91.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -64.61 -16.06 62.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.429 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.57 ' O ' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -85.4 -28.67 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.893 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.4 29.99 7.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.71 -44.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -121.83 32.51 5.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -55.18 142.16 58.83 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -84.83 17.91 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.778 2.319 . . . . 0.0 112.829 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.58 -0.44 13.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.463 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 42' ' ' LEU . 2.8 t -62.79 -30.52 49.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.067 0.461 . . . . 0.0 109.867 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -70.1 -24.63 63.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.473 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -117.62 28.69 8.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.073 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 50' ' ' ARG . 2.2 tttt -160.83 -57.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.5 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' HA ' HG12 ' A' ' 45' ' ' VAL . 2.4 mt 64.4 -4.56 0.41 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.794 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' A' ' 48' ' ' LYS . 1.5 ptt180 162.05 -29.48 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 122.358 0.263 . . . . 0.0 110.744 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER 165.62 32.61 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.859 0.361 . . . . 0.0 110.816 -179.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 52' ' ' LEU . 3.2 tt -81.68 8.23 10.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.224 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.66 -66.16 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.9 m 55.92 49.89 15.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.026 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.59 17.28 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.946 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 m -53.78 -47.17 71.01 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.026 0.441 . . . . 0.0 110.385 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.4 m -144.42 20.89 1.71 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.718 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.25 -44.4 37.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.01 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.05 -25.56 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.715 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.0 mmt -84.85 -19.9 31.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.957 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -132.97 49.62 2.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.568 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.78 -15.71 20.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.076 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -46.37 -27.1 0.96 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.709 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -48.29 -27.6 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.35 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.02 -20.23 36.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.441 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.0 mt -98.33 -16.22 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.689 0.244 . . . . 0.0 111.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.43 -31.81 0.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.174 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.7 m -100.62 -27.97 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.682 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.588 ' HB3' HG23 ' A' ' 66' ' ' ILE . 2.0 t0 -70.96 -37.37 72.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.48 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.485 ' HG2' HG22 ' A' ' 66' ' ' ILE . 11.3 mm-40 -66.66 -30.01 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.584 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.56 -41.74 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 72' ' ' LEU . 2.6 tt -60.23 -28.29 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.89 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.1 m -77.45 -21.94 52.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.7 t -58.67 -30.76 42.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.737 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 75' ' ' LEU . 7.9 tt -55.22 -24.21 26.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.434 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.38 113.39 0.74 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.613 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.18 -7.17 28.87 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.926 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 44.44 31.07 0.55 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.913 0.387 . . . . 0.0 111.389 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.656 ' N ' ' HG1' ' A' ' 16' ' ' THR . 69.1 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.654 0.264 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -78.51 -24.44 45.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.411 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.41 -26.73 23.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.84 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.656 ' HG1' ' N ' ' A' ' 13' ' ' THR . 4.8 m -74.21 -31.34 62.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -63.24 -51.94 64.19 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.109 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.39 -35.21 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.365 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 mttt -55.95 -25.45 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.979 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -21.2 46.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.16 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -53.61 3.27 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.7 pp -58.62 -20.42 47.33 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-O 121.038 0.447 . . . . 0.0 110.189 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.0 t -100.53 -18.68 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.616 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -70.37 -12.61 61.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.679 0.276 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.67 -14.32 16.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.918 0.39 . . . . 0.0 110.001 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -90.66 -28.41 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.459 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -20.43 31.74 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.53 -45.34 17.6 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.298 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.95 -28.49 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.239 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -88.28 -28.23 21.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.202 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.5 m -69.33 -31.35 69.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.501 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -99.85 7.98 44.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.546 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.05 -51.88 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 110.598 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -60.42 -21.7 62.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.761 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -73.15 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.568 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' N ' ' A' ' 37' ' ' TYR . 3.3 pp -60.68 -41.82 95.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.789 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' N ' HD12 ' A' ' 36' ' ' LEU . 6.9 m-85 -61.7 -19.16 62.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.9 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.24 -38.8 78.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -104.37 27.7 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.853 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.2 m -113.33 -77.45 0.58 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.66 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -149.27 31.17 0.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 41' ' ' TYR . 5.5 mp -155.0 100.55 2.33 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.1 4.17 7.0 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.617 2.212 . . . . 0.0 112.949 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -134.42 8.01 3.63 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 49' ' ' LEU . 8.4 p -59.94 -27.28 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.955 0.407 . . . . 0.0 110.503 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -80.49 -15.14 57.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.652 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 3.4 pt-20 -133.13 28.89 4.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.878 0.371 . . . . 0.0 110.764 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -176.94 -71.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.06 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 45' ' ' VAL . 2.9 tt 77.02 -37.18 0.27 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.69 -179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' A' ' 48' ' ' LYS . 1.5 ttt180 170.54 38.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.513 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 78.9 26.23 0.47 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.919 0.39 . . . . 0.0 110.656 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -87.9 8.73 24.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.027 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.433 ' CE1' ' HA ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -93.43 -33.26 13.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.482 179.604 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.441 ' HA ' ' HB2' ' A' ' 58' ' ' ALA . 1.5 m -81.29 23.25 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.416 0.626 . . . . 0.0 111.181 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -150.08 -19.32 0.25 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.015 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -88.23 -49.72 6.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.57 12.7 18.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.989 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 54' ' ' SER . . . -86.81 -48.9 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.47 -13.96 61.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.171 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 ttt -83.99 -23.97 30.77 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.787 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -94.73 24.22 4.85 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.245 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.92 -14.87 18.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 110.717 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -46.67 -26.76 0.98 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.644 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.4 m -48.73 -26.82 2.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.522 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.53 -7.34 28.09 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.802 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.616 HG23 ' HB3' ' A' ' 69' ' ' ASP . 14.3 mt -109.08 -9.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.808 0.304 . . . . 0.0 111.497 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -30.12 1.12 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.897 0.379 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.9 m -107.76 -24.23 11.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.787 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.616 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -73.73 -36.1 65.15 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.54 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.57 ' HB2' HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -68.23 -30.09 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.549 179.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.6 t -86.01 -41.7 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.79 HD13 ' O ' ' A' ' 72' ' ' LEU . 1.1 tm? -60.03 -28.08 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.1 m -77.9 -24.26 48.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.43 -30.97 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.725 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 mp -56.38 -23.54 38.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.507 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.42 115.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.752 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.87 -9.48 23.35 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.963 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 44.1 31.29 0.52 Allowed 'General case' 0 C--O 1.23 0.065 0 CA-C-O 120.898 0.38 . . . . 0.0 111.404 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.667 ' O ' HD23 ' A' ' 15' ' ' LEU . 19.4 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.718 0.294 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.5 OUTLIER 82.71 -44.42 0.13 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 13' ' ' THR . 0.4 OUTLIER -80.7 -33.1 35.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.963 0.411 . . . . 0.0 110.403 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -71.81 -26.99 62.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.661 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -62.49 -51.76 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.115 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.63 -35.61 68.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -25.71 46.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.783 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -79.03 -20.47 48.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.199 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.54 -53.83 3.1 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.98 -19.47 43.7 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.97 0.414 . . . . 0.0 110.391 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 m -104.53 -14.25 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.995 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.23 -11.19 60.61 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.763 0.316 . . . . 0.0 111.247 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -103.07 -14.56 16.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.948 0.404 . . . . 0.0 110.102 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 69.6 t-105 -91.14 -29.51 17.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -21.18 30.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.352 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.2 t -80.15 -44.48 19.8 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.142 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.791 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.03 -30.34 15.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.262 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 tttm -88.29 -28.52 21.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.315 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.5 m -72.62 -30.41 64.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -112.71 20.82 16.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.791 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -91.55 -54.76 3.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -55.03 -24.04 22.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -62.52 1.62 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 37' ' ' TYR . 4.0 pp -56.62 -34.59 67.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.8 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -60.17 -19.1 52.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.117 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -31.99 70.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 40' ' ' THR . 0.1 OUTLIER -93.56 16.55 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 39' ' ' LYS . 14.2 t 44.67 42.81 6.15 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 111.499 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.74 ' CZ ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -105.12 28.25 7.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.942 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -109.12 -53.19 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.514 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' CD ' ' H ' ' A' ' 42' ' ' LEU . 23.4 Cg_exo -64.59 -9.19 19.67 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.481 2.12 . . . . 0.0 112.996 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -123.34 4.41 9.11 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 42' ' ' LEU . 6.8 p -69.06 -26.11 31.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.02 0.438 . . . . 0.0 110.574 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -81.33 -19.43 42.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.895 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -134.31 30.2 3.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.495 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -164.59 -58.13 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.136 -0.226 . . . . 0.0 111.425 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.818 ' HB3' HG23 ' A' ' 45' ' ' VAL . 11.6 tp -85.84 41.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.2 0.524 . . . . 0.0 109.904 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.715 HH21 HG21 ' A' ' 57' ' ' THR . 0.1 OUTLIER -179.16 -26.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.797 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -110.01 -30.93 7.57 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.706 0.288 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 52' ' ' LEU . 3.4 tt -90.8 16.37 9.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.496 ' CG ' ' HB3' ' A' ' 56' ' ' SER . 0.2 OUTLIER -122.5 -49.92 2.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.795 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m 40.94 35.22 0.33 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.618 0.723 . . . . 0.0 110.522 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -167.86 -22.92 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.277 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.496 ' HB3' ' CG ' ' A' ' 53' ' ' TYR . 1.9 p -51.04 -51.45 53.05 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.218 0.532 . . . . 0.0 109.749 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.715 HG21 HH21 ' A' ' 50' ' ' ARG . 12.4 t -128.59 17.17 6.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.859 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -70.13 -43.71 70.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.586 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.31 -24.78 63.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.65 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -19.62 50.16 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.181 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.81 53.14 1.69 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.751 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -15.6 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -46.54 -27.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.795 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.4 m -49.29 -27.56 3.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.225 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.85 -8.76 25.66 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.573 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.9 mt -101.04 -14.47 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 116.756 0.278 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.7 -31.95 0.34 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.873 0.368 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.577 HG22 ' CD1' ' A' ' 72' ' ' LEU . 1.7 m -102.39 -26.71 13.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.648 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.5 OUTLIER -70.83 -37.73 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.411 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 74' ' ' VAL . 16.6 tp60 -65.26 -29.9 70.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.602 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.58 -44.5 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.577 ' CD1' HG22 ' A' ' 68' ' ' THR . 2.8 mp -60.63 -28.44 68.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.774 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 p -77.89 -24.61 48.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.607 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 53.0 t -58.4 -29.41 38.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.922 0.391 . . . . 0.0 110.791 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.63 24.28 5.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.998 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 163.62 92.35 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.376 0.607 . . . . 0.0 109.827 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.21 -12.11 24.11 Favored Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.607 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . 0.3 OUTLIER -155.16 38.51 0.4 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.407 -0.397 . . . . 0.0 111.299 179.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' CA ' ' O ' ' A' ' 74' ' ' VAL . 6.6 tt0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.88 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.99 0.424 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.18 -37.66 5.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.271 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -83.99 -27.83 28.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.415 179.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -74.55 -28.08 60.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.739 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -62.92 -51.54 66.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 110.139 179.59 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.9 -35.18 70.09 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.368 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -25.45 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.012 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.44 -22.73 40.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.018 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.77 -53.11 3.98 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.801 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.94 -19.73 45.55 Favored 'General case' 0 N--CA 1.457 -0.106 0 CA-C-O 121.065 0.459 . . . . 0.0 110.241 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.7 t -98.88 -17.46 18.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.717 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.1 p -61.62 -18.79 60.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.684 0.278 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -97.78 -14.94 20.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.014 0.435 . . . . 0.0 110.085 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -90.91 -25.72 19.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.336 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.42 -20.45 29.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.46 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.3 t -80.09 -45.55 18.05 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.301 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.31 -29.77 16.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.266 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -87.63 -28.25 21.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.259 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.3 m -69.46 -30.02 67.83 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.708 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.682 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -96.29 6.99 47.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.547 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.26 -51.66 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.458 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -20.33 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -75.03 -62.16 1.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.671 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.5 pp -61.52 -39.48 91.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.614 ' CD1' HD11 ' A' ' 36' ' ' LEU . 13.7 m-85 -70.2 -12.06 61.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.263 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.792 ' O ' HD23 ' A' ' 42' ' ' LEU . 5.3 mt-10 -84.37 -28.02 27.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.744 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.59 25.78 10.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.9 p -153.87 -42.93 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.22 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -97.8 32.1 2.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -86.02 -57.82 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 82.7 Cg_endo -85.49 56.38 4.22 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.659 2.239 . . . . 0.0 112.462 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 43' ' ' PRO . . . 169.62 41.59 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.963 0.411 . . . . 0.0 110.151 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.69 HG21 ' HB2' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -86.92 37.27 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 1.0 OUTLIER 70.92 31.91 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 -177.082 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 4.1 tt0 92.66 26.23 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.699 -178.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER 80.35 41.28 0.07 Allowed 'General case' 0 C--N 1.345 0.403 0 CA-C-O 121.044 0.45 . . . . 0.0 110.286 -179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.43 -47.07 80.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.832 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.48 -35.48 12.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.69 ' HB2' HG21 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.25 -40.32 95.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.507 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.3 tt -83.92 11.38 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.614 ' CZ ' HG22 ' A' ' 57' ' ' THR . 0.0 OUTLIER -102.98 -34.42 8.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.302 179.676 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.94 48.09 11.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.707 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.08 20.61 5.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.816 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.421 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 29.0 t -56.85 -56.99 14.53 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.123 0.487 . . . . 0.0 109.855 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.614 HG22 ' CZ ' ' A' ' 53' ' ' TYR . 5.7 t -136.48 17.36 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.076 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 62' ' ' THR . . . -71.42 -43.73 66.22 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.75 -22.37 60.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.463 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.56 -16.86 50.35 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.063 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -163.09 64.88 0.19 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.871 0.367 . . . . 0.0 110.804 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -92.55 -19.41 21.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.023 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -47.49 -27.79 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.556 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -49.71 -26.62 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.308 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.76 -20.37 68.51 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.549 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.669 HG22 ' HB2' ' A' ' 70' ' ' GLN . 12.8 mm -112.3 -14.03 11.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.736 0.268 . . . . 0.0 111.557 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.91 -31.55 0.52 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.965 0.412 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 m -108.92 -22.36 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.777 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 66' ' ' ILE . 1.9 t0 -73.65 -37.36 65.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.612 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.669 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -67.99 -32.41 72.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.79 -37.42 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.75 -28.06 67.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.1 m -78.72 -25.36 44.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.0 t -57.93 -31.42 40.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.794 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 mp -57.34 -23.21 47.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.515 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -173.61 113.73 0.21 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.678 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.92 -6.58 25.64 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.994 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 44.38 31.2 0.56 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.938 0.399 . . . . 0.0 111.395 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.874 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.597 ' N ' ' HG1' ' A' ' 16' ' ' THR . 70.1 m . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.55 0.214 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.02 -24.59 52.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.409 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -83.25 -27.5 29.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.755 179.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.597 ' HG1' ' N ' ' A' ' 13' ' ' THR . 7.7 m -67.82 -36.09 79.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.478 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.74 -52.58 62.67 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.82 -35.18 66.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.363 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.51 -25.72 38.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.823 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.83 -21.89 50.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.26 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.23 -53.86 3.12 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 3.8 pp -57.34 -21.23 34.1 Favored 'General case' 0 N--CA 1.458 -0.046 0 CA-C-O 121.133 0.492 . . . . 0.0 110.203 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 t -95.73 -22.57 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.49 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -80.61 -8.29 59.56 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.812 0.339 . . . . 0.0 111.071 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.29 -6.17 11.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.064 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 14.1 t-105 -91.41 -27.23 18.45 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.638 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.07 -23.31 30.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.66 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -81.67 -40.53 22.71 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.031 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -53.52 -27.67 26.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.91 178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.88 -28.06 44.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.741 178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.7 m -53.26 -39.2 63.69 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.739 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.696 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -177.98 36.39 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.717 0.294 . . . . 0.0 111.789 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 29' ' ' ALA . . . -119.68 -37.11 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.524 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 10.0 mt-30 -77.47 -14.0 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.789 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -85.44 -52.16 6.05 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.117 0.484 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.9 pp -67.95 -40.11 83.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.743 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.757 ' CE2' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -66.18 -11.99 53.11 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -91.47 -21.17 21.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.254 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 30.13 5.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.68 0.276 . . . . 0.0 111.31 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 36' ' ' LEU . 4.4 p -117.51 -77.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.933 0.397 . . . . 0.0 111.004 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.667 ' C ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -147.23 30.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.267 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 41' ' ' TYR . 1.1 pt? 39.1 64.97 3.55 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.705 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 42' ' ' LEU . 4.4 Cg_endo -86.56 25.88 0.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.234 2.622 . . . . 0.0 112.589 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.757 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -90.85 -12.48 36.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.861 0.362 . . . . 0.0 111.412 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.738 ' HB ' HD12 ' A' ' 49' ' ' LEU . 2.1 p -66.38 -32.98 60.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.82 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -80.12 -9.08 59.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.509 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 51' ' ' ASP . 26.2 mt-10 -135.16 28.0 3.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.809 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -164.34 -64.7 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.463 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.738 HD12 ' HB ' ' A' ' 45' ' ' VAL . 17.5 mt -63.5 -20.41 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.012 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.7 15.35 3.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.043 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' A' ' 47' ' ' GLU . 2.8 t70 -129.78 -4.96 4.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.664 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.7 mt -80.89 8.81 7.46 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.732 0.301 . . . . 0.0 111.236 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' CG ' ' CB ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -95.63 -60.74 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.509 179.751 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 m 45.07 46.69 9.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.564 0.697 . . . . 0.0 110.521 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 178.01 -28.55 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.805 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.489 ' CB ' ' CG ' ' A' ' 53' ' ' TYR . 1.7 t -57.47 -42.25 82.2 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.127 0.489 . . . . 0.0 109.872 179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -146.63 21.89 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.653 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.36 -50.72 29.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.106 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.79 -27.77 67.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.582 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 mtt -84.83 -16.14 42.39 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 t -146.04 56.36 1.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 110.638 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -17.6 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.83 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -47.43 -26.02 1.22 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.347 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -48.8 -28.43 3.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.092 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.49 -25.83 73.27 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.062 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 69' ' ' ASP . 8.5 mt -105.72 -16.78 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 120.58 0.228 . . . . 0.0 111.076 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -41.63 -32.03 0.33 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.4 m -101.0 -28.11 12.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.582 ' HB3' HG23 ' A' ' 66' ' ' ILE . 4.1 t0 -69.85 -38.17 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.429 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.482 ' HG3' HG22 ' A' ' 66' ' ' ILE . 2.2 mt-30 -65.95 -29.38 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.615 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.5 t -87.24 -40.97 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.604 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -59.36 -29.22 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -22.76 51.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.5 -30.87 42.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.729 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 75' ' ' LEU . 5.8 tt -55.57 -24.04 30.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.438 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.12 114.05 0.4 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.681 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.53 -6.51 28.15 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.989 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 44.5 31.16 0.57 Allowed 'General case' 0 CA--C 1.527 0.077 0 CA-C-O 120.982 0.42 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' N ' ' HG1' ' A' ' 16' ' ' THR . 61.3 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.566 0.222 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -77.62 -24.32 49.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.456 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -87.51 -28.51 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.737 179.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.409 ' HG1' ' N ' ' A' ' 13' ' ' THR . 46.8 m -73.51 -34.07 65.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.831 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -61.36 -51.67 67.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.068 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.8 t -62.24 -35.57 69.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -54.99 -25.88 32.96 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.768 178.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.36 -25.55 39.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.111 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -51.44 5.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.991 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.48 ' C ' HD12 ' A' ' 22' ' ' LEU . 3.9 pp -58.9 -17.44 24.28 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-O 120.933 0.397 . . . . 0.0 110.488 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 m -105.28 -11.84 16.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.141 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 90.5 p -68.07 -11.53 59.2 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-O 120.633 0.254 . . . . 0.0 111.634 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -110.47 -7.98 14.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 110.326 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -94.64 -27.52 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.662 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.897 ' O ' HG23 ' A' ' 31' ' ' THR . 26.8 mt-10 -87.92 -22.98 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.29 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -80.91 -42.41 21.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.987 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -51.11 -29.09 12.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.334 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.25 -26.67 22.22 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.742 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.897 HG23 ' O ' ' A' ' 27' ' ' GLU . 52.7 p -77.86 -31.17 51.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.854 0.359 . . . . 0.0 110.751 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.542 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -100.67 8.71 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.583 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -90.16 -51.0 5.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -22.53 61.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.44 -63.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 32' ' ' ALA . 4.1 pp -58.4 -30.55 66.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.845 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' N ' HD12 ' A' ' 36' ' ' LEU . 39.8 t80 -66.32 -14.83 62.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.186 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.96 -31.05 58.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.657 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 19.35 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.516 HG22 HD12 ' A' ' 42' ' ' LEU . 0.2 OUTLIER 65.26 18.66 11.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.359 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 25.6 t80 41.76 32.68 0.28 Allowed 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 121.173 0.511 . . . . 0.0 111.496 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.664 HD23 ' CG1' ' A' ' 45' ' ' VAL . 3.5 mt -122.84 51.71 3.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.327 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 42' ' ' LEU . 72.1 Cg_endo -75.91 80.47 2.62 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.513 2.142 . . . . 0.0 112.34 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 63.96 16.82 10.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.407 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.782 HG23 ' HB2' ' A' ' 49' ' ' LEU . 2.9 p -59.18 -32.65 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.994 0.426 . . . . 0.0 110.396 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -74.56 -19.17 60.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.583 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -130.5 31.78 4.52 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.212 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' HG3' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -163.87 -55.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.376 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.782 ' HB2' HG23 ' A' ' 45' ' ' VAL . 3.2 mm? -86.56 40.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.269 0.556 . . . . 0.0 109.892 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.7 mtt85 -170.7 -30.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.692 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -92.94 -27.95 16.75 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 120.792 0.33 . . . . 0.0 110.962 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD12 ' HG3' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -91.15 15.82 11.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.009 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.451 ' CG ' ' HB2' ' A' ' 56' ' ' SER . 0.0 OUTLIER -112.44 -42.2 3.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.931 0.396 . . . . 0.0 110.516 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 m 59.88 56.46 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.803 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 58' ' ' ALA . 5.1 ttpp 60.15 20.48 9.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.451 ' HB2' ' CG ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -49.86 -42.46 47.58 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-O 120.957 0.408 . . . . 0.0 110.434 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -144.86 20.32 1.63 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.961 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 55' ' ' LYS . . . -80.95 -42.95 20.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.141 0.496 . . . . 0.0 109.885 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.4 -18.09 60.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.616 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.5 tpt -83.05 -26.81 30.79 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.84 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 m -99.2 29.68 3.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.84 -14.96 17.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -46.23 -27.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.7 m -48.12 -27.36 2.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.46 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.69 -14.87 33.35 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.601 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 69' ' ' ASP . 11.2 mm -101.27 -14.46 7.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-N 116.75 0.275 . . . . 0.0 111.412 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -41.94 -31.37 0.33 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.824 0.345 . . . . 0.0 111.226 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 m -104.36 -25.48 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.553 ' HB2' HG23 ' A' ' 66' ' ' ILE . 36.1 m-20 -73.48 -36.28 65.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.881 0.372 . . . . 0.0 110.452 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -67.7 -31.52 71.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.579 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.9 t -79.54 -41.65 22.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.24 -30.12 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -80.02 -21.61 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 70' ' ' GLN . 32.9 t -58.72 -30.53 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.691 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.38 24.1 3.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.019 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 165.63 93.61 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.38 0.61 . . . . 0.0 109.795 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.4 -12.55 28.29 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.59 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . 0.0 OUTLIER -155.21 42.02 0.44 Allowed 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.012 0.434 . . . . 0.0 111.307 179.593 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.865 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.612 ' N ' ' HG1' ' A' ' 16' ' ' THR . 66.6 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.503 0.192 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -25.51 55.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.936 0.398 . . . . 0.0 110.381 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 pp -82.49 -29.27 30.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.698 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.612 ' HG1' ' N ' ' A' ' 13' ' ' THR . 3.9 m -68.2 -24.77 64.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -59.82 -50.83 72.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.231 179.705 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.7 t -61.22 -37.32 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD3' HD21 ' A' ' 22' ' ' LEU . 29.8 mmtt -55.97 -25.48 44.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.833 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.26 -20.68 43.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.148 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.42 -52.97 3.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD21 ' HD3' ' A' ' 19' ' ' LYS . 3.9 pp -57.63 -20.07 30.62 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.013 0.435 . . . . 0.0 110.41 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.29 -17.05 16.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.854 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.5 t -77.08 -6.6 53.41 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.205 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.57 -14.32 15.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.204 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -90.74 -32.35 16.18 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.03 -20.79 34.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.356 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -79.91 -44.82 19.69 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.0 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -49.41 -32.24 11.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.21 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -88.28 -29.39 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.336 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.5 m -74.09 -28.82 61.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.81 18.2 22.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.341 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -98.43 -50.51 4.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.833 0.349 . . . . 0.0 110.624 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.51 -20.94 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.689 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -73.66 -62.23 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.597 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 mt -67.36 -36.58 81.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.45 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' A' ' 42' ' ' LEU . 16.3 t80 -57.57 -21.13 36.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.189 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -89.4 -28.03 20.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.018 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -106.71 7.2 30.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.529 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.14 3.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.785 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 41' ' ' TYR . 43.8 t80 42.1 30.61 0.19 Allowed 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.146 0.498 . . . . 0.0 111.528 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.577 HD13 ' OD2' ' A' ' 46' ' ' ASP . 4.4 mt 54.19 102.7 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.954 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 42' ' ' LEU . 19.6 Cg_endo -58.8 -77.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.252 1.968 . . . . 0.0 112.29 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB1' ' CG ' ' A' ' 48' ' ' LYS . . . -162.66 23.66 0.1 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.634 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.866 HG23 ' HB3' ' A' ' 49' ' ' LEU . 2.4 p -72.48 -28.12 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.06 0.457 . . . . 0.0 110.241 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.577 ' OD2' HD13 ' A' ' 42' ' ' LEU . 26.9 p30 -83.52 -11.48 57.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.751 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -128.96 6.99 5.5 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' CG ' ' HB1' ' A' ' 44' ' ' ALA . 44.5 mmtt -148.74 -61.73 0.24 Allowed 'General case' 0 C--O 1.232 0.146 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.866 ' HB3' HG23 ' A' ' 45' ' ' VAL . 5.7 tp -68.22 -15.14 63.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.42 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -141.14 15.09 2.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.594 0.235 . . . . 0.0 111.415 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -141.67 3.64 1.68 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.5 tp -98.64 16.61 21.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.64 0.257 . . . . 0.0 111.009 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.408 ' CE1' ' N ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -130.48 -56.82 1.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.922 0.391 . . . . 0.0 110.77 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m 55.11 40.73 31.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.175 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.05 17.98 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.0 t -56.77 -52.11 66.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.069 0.461 . . . . 0.0 110.339 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.6 m -147.24 22.0 1.2 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.814 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' N ' ' CE1' ' A' ' 53' ' ' TYR . . . -74.03 -47.66 35.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.221 179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.62 -24.34 61.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.776 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.1 ttt -87.85 -23.28 24.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.856 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 t -127.51 46.46 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.672 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -16.64 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.843 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -46.93 -26.52 1.01 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.5 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.4 m -48.63 -27.83 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.285 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.12 -24.01 67.35 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.293 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 69' ' ' ASP . 10.3 mm -105.58 -16.43 8.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.487 0.184 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.32 -31.82 0.26 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -103.94 -25.72 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.736 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.542 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.4 OUTLIER -72.9 -36.8 67.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.504 179.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -68.61 -31.79 71.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.634 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.8 t -88.88 -36.85 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.81 -29.97 68.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.9 m -77.54 -24.05 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.2 -31.46 42.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.729 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 -24.13 35.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.491 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.58 113.31 0.43 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.82 -6.0 27.6 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.913 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 44.57 30.94 0.56 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.902 0.382 . . . . 0.0 111.412 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.906 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.42 ' O ' ' CB ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.743 0.306 . . . . 0.0 111.287 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.5 OUTLIER 82.51 -44.32 0.14 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 -179.683 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' C ' HD12 ' A' ' 15' ' ' LEU . 4.2 pp -80.46 -31.45 37.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.337 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.438 ' N ' HD12 ' A' ' 15' ' ' LEU . 11.6 m -71.48 -28.92 64.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.719 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.6 pt20 -62.18 -52.62 63.07 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -62.14 -35.05 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -55.19 -25.55 33.48 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.831 178.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -76.61 -25.06 53.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.046 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.4 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -95.78 -54.36 3.37 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.864 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.8 pp -61.02 -19.0 60.81 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.922 0.391 . . . . 0.0 110.389 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.04 4.45 12.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.124 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -58.89 -22.19 58.9 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.758 0.313 . . . . 0.0 111.201 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.44 -13.6 20.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 109.983 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CD1' ' O ' ' A' ' 26' ' ' TRP . 6.4 t-105 -91.66 -25.49 19.11 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.263 178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.89 ' O ' HG23 ' A' ' 31' ' ' THR . 4.2 tp10 -82.93 -23.35 33.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.399 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -77.08 -47.21 21.14 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.168 0.509 . . . . 0.0 110.295 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . -49.96 -28.31 6.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.221 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.13 -30.01 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 27' ' ' GLU . 70.6 p -69.58 -29.64 67.24 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.804 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.631 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -104.45 9.0 35.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.395 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -90.84 -52.4 4.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 0.0 110.669 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -22.47 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.79 -63.97 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.608 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.2 pp -59.39 -36.28 75.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.552 ' CE2' HD23 ' A' ' 42' ' ' LEU . 8.3 m-85 -66.66 -15.26 63.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.0 -27.85 49.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.823 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 13.92 17.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.366 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 56.77 62.6 2.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.896 0.379 . . . . 0.0 111.037 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -113.19 31.41 6.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.61 ' HB3' HG12 ' A' ' 45' ' ' VAL . 1.1 mp -82.03 138.99 45.88 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.817 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HB2' HD13 ' A' ' 49' ' ' LEU . 31.6 Cg_exo -58.61 -66.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.388 2.059 . . . . 0.0 112.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.73 21.17 0.17 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.753 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 51' ' ' ASP . 6.5 p -64.87 -34.59 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -28.01 69.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.703 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -87.82 -62.09 1.57 Allowed 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.49 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' CE ' HD22 ' A' ' 52' ' ' LEU . 0.8 OUTLIER 178.45 49.15 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.398 179.712 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD13 ' HB2' ' A' ' 43' ' ' PRO . 8.6 tt -101.45 -36.01 8.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.788 0.327 . . . . 0.0 110.851 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.83 29.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.048 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.629 ' HB2' HG22 ' A' ' 45' ' ' VAL . 11.0 t70 -119.17 -21.48 7.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.404 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD22 ' CE ' ' A' ' 48' ' ' LYS . 1.6 tp -90.86 17.64 7.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.644 0.259 . . . . 0.0 111.247 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.671 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -123.28 -51.19 1.87 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 110.616 179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m 53.78 44.55 29.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.8 17.04 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.006 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.7 t -55.22 -48.84 73.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.004 0.43 . . . . 0.0 110.441 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m -142.3 21.3 2.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.882 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.671 ' HB2' ' HD2' ' A' ' 53' ' ' TYR . . . -78.67 -43.39 26.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.054 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.31 -21.96 59.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.725 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -81.62 -29.76 33.12 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.0 m -100.8 31.11 3.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.821 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.81 -15.29 16.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.925 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -46.62 -27.55 1.18 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -50.06 -27.53 5.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.36 179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -117.4 1.58 18.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.408 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.621 HG23 ' HB3' ' A' ' 69' ' ' ASP . 18.1 mt -113.7 -9.04 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.617 0.246 . . . . 0.0 111.37 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -45.14 -29.91 1.03 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.885 0.374 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.6 m -108.07 -24.07 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.673 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.621 ' HB3' HG23 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -73.99 -36.11 64.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.903 0.382 . . . . 0.0 110.463 179.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.579 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -66.15 -32.02 73.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.339 179.477 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.73 -45.91 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.19 -26.01 68.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.709 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 m -78.21 -23.73 47.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 70' ' ' GLN . 92.8 t -58.17 -31.12 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.658 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 tp -55.97 -23.96 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.458 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.88 116.84 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.729 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.2 -10.82 24.49 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.038 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 44.13 31.11 0.5 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.912 0.387 . . . . 0.0 111.398 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.951 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.7 m . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.647 0.26 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.47 -24.12 50.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.925 0.393 . . . . 0.0 110.461 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -84.68 -27.91 26.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.809 179.769 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 m -71.76 -32.16 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 18' ' ' VAL . 1.3 pt20 -60.7 -52.48 64.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.8 0.333 . . . . 0.0 110.172 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.9 t -61.97 -35.05 66.07 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HA ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.62 -25.42 38.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.8 178.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.36 -22.85 51.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.113 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 24' ' ' SER . 0.3 OUTLIER -98.3 -54.26 3.11 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.95 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 2.7 pp -60.82 -18.98 58.73 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.903 0.382 . . . . 0.0 110.42 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.88 -1.39 13.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.215 179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 21' ' ' SER . 0.2 OUTLIER -59.51 -20.8 58.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 111.24 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.63 -15.72 22.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 110.094 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -92.28 -26.46 18.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.306 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -85.94 -20.4 29.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.288 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 31' ' ' THR . 2.4 t -80.62 -45.65 16.93 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.165 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.51 -26.84 14.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.364 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -92.65 -27.03 17.55 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.608 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.539 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -79.27 -26.11 42.41 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.79 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.62 7.0 42.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.51 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.51 -36.89 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 0.0 110.401 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -20.09 60.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.519 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.35 -58.21 3.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.573 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.99 -43.24 96.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.671 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -67.57 -13.38 62.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -85.74 -24.93 26.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.958 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -109.09 24.06 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.182 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.0 p -132.84 -44.45 0.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.95 0.405 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -111.8 32.21 5.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.94 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 38' ' ' GLU . 4.0 tp -75.01 112.57 18.55 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 68.2 Cg_endo -81.18 -55.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.294 1.996 . . . . 0.0 112.541 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 43' ' ' PRO . . . 177.03 32.24 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.409 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' LEU . 2.0 t -73.94 -29.92 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.021 0.438 . . . . 0.0 109.843 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.85 -25.33 61.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.14 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.65 19.84 17.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -157.39 -52.8 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 1.1 tt 44.02 50.07 7.3 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.001 0.429 . . . . 0.0 110.413 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER 52.39 34.67 15.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.093 -179.121 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -121.54 -36.17 3.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.94 15.22 10.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.068 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CE1' ' HB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -114.26 -38.65 4.06 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.588 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m 55.1 39.2 31.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.18 14.81 5.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.014 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -59.3 -54.1 50.68 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.009 0.433 . . . . 0.0 110.318 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.448 ' HB ' ' CE1' ' A' ' 53' ' ' TYR . 4.0 m -145.35 22.03 1.52 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.801 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.18 -41.82 40.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.15 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.75 -24.19 59.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.822 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.62 -20.41 36.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 m -125.48 45.13 2.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.898 0.38 . . . . 0.0 110.767 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.98 -14.93 15.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -46.06 -27.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.2 m -49.28 -27.08 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.461 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -109.59 -6.97 28.44 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.698 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.586 HG23 ' HB2' ' A' ' 69' ' ' ASP . 12.4 mm -105.9 -12.88 9.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.77 0.285 . . . . 0.0 111.325 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -42.78 -31.05 0.44 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.92 0.39 . . . . 0.0 111.202 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.7 m -106.94 -23.87 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.861 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.586 ' HB2' HG23 ' A' ' 66' ' ' ILE . 6.2 m-20 -74.0 -36.39 64.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.921 0.391 . . . . 0.0 110.544 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.414 ' HB3' HG22 ' A' ' 66' ' ' ILE . 1.2 pt20 -68.11 -30.31 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.725 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.61 -39.88 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.8 tp -60.27 -28.28 67.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.9 m -78.15 -23.24 47.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.51 -31.6 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 75' ' ' LEU . 8.6 tp -55.43 -24.65 31.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.444 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -165.25 112.65 0.98 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.645 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.21 -5.06 31.7 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.954 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 44.56 30.98 0.56 Allowed 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.874 0.369 . . . . 0.0 111.402 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.944 179.981 . . . . . . . . 0 0 . 1 stop_ save_