data_2kcj_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 2kcj _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 ' 0' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.232 0.155 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt -139.97 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.631 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.51 150.11 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.593 0.235 . . . . 0.0 110.452 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.0 -156.63 27.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.741 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.502 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.2 m -123.94 162.3 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 117.132 0.466 . . . . 0.0 110.623 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.6 mm? -136.47 154.0 50.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.533 176.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.689 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -70.43 125.51 26.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.887 171.259 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -122.4 123.8 42.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.07 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -73.27 132.34 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.116 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 p -116.6 -71.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -145.84 164.12 32.92 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -70.0 -27.68 64.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.642 0.258 . . . . 0.0 111.061 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.55 -41.7 65.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -83.08 -28.84 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.216 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.55 -105.23 2.9 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.823 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.689 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 6.2 p-90 -132.23 144.98 51.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -131.14 122.87 19.43 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.559 0.219 . . . . 0.0 110.531 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.56 130.6 22.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.499 2.132 . . . . 0.0 111.781 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -126.21 154.77 42.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -92.94 129.14 38.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.142 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 29' ' ' TYR . 97.7 m-85 -132.56 141.51 48.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -133.0 137.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD22 HD22 ' A' ' 27' ' ' LEU . 3.2 tm? -102.72 118.67 37.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -147.8 133.17 18.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 59.47 28.23 17.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.598 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 83.47 7.0 87.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -116.64 135.27 57.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD22 HD22 ' A' ' 22' ' ' LEU . 3.0 tm? -106.7 109.19 21.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 p -108.81 148.87 29.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.076 0.465 . . . . 0.0 111.506 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.47 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 34.0 p90 -115.55 143.14 45.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.669 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 87.2 m-85 -136.86 164.44 28.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.781 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.46 -37.17 63.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.239 0.542 . . . . 0.0 110.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.428 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 74.5 m -158.88 179.68 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.769 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -65.04 -44.78 87.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.951 0.405 . . . . 0.0 110.687 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.29 -33.37 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.533 . . . . 0.0 110.897 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.428 ' HB3' ' H ' ' A' ' 32' ' ' SER . 35.3 t70 -68.07 -24.62 65.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.921 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.598 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 72.1 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.293 0.568 . . . . 0.0 110.548 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.878 0.371 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.19 119.75 60.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.519 ' O ' HG11 ' A' ' 48' ' ' VAL . 76.8 tttt -86.35 95.38 9.63 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.727 -174.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 94.9 mmm -54.28 -33.4 58.55 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.22 -10.78 45.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.712 HG13 HD11 ' A' ' 65' ' ' ILE . 5.9 p -125.16 -0.95 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.406 0.622 . . . . 0.0 110.118 176.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.934 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 34.7 m -120.6 132.51 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.693 ' HB2' HG22 ' A' ' 64' ' ' ILE . 34.6 mt-10 -89.53 131.11 35.72 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.397 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.553 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -98.27 115.11 37.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.3 mmmt -85.34 108.32 17.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.319 0.58 . . . . 0.0 110.001 -170.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 51' ' ' ILE . 70.2 t . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.352 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -93.65 114.96 27.39 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -167.179 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.428 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.6 mpp? -134.81 156.48 48.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 175.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -126.7 138.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 122.363 -0.211 . . . . 0.0 110.965 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -113.23 121.77 45.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 109.905 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.693 HG22 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -126.16 116.6 46.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.391 0.615 . . . . 0.0 111.137 -179.137 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.934 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.66 114.31 24.99 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.516 177.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.618 ' HD2' HD12 ' A' ' 65' ' ' ILE . 42.5 Cg_exo -56.32 112.97 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.961 2.441 . . . . 0.0 112.968 -171.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.92 -57.35 0.69 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.64 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 33.8 mt-10 -97.06 -69.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 8.9 pt20 48.77 -162.7 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 168.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.5 37.79 5.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -103.81 112.21 25.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.276 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.444 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 18.1 t80 -104.25 128.64 52.02 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.522 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 90.2 mtp -121.53 136.79 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 109.962 -177.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.636 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 36.6 ttmt -143.36 124.17 14.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.046 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.21 -178.83 7.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.629 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.723 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.4 t -61.17 -58.98 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.441 ' C ' HG21 ' A' ' 59' ' ' THR . 31.6 p30 -137.74 174.14 10.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.149 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.96 -37.3 63.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.367 . . . . 0.0 111.429 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.87 83.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.674 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.723 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 23.1 mm-40 -60.68 -40.19 91.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.416 0.627 . . . . 0.0 110.106 175.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.531 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -57.93 -38.48 76.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.6 175.025 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 86' ' ' VAL . 55.3 tp60 -64.58 -34.22 77.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.56 -45.27 94.85 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.476 0.655 . . . . 0.0 110.015 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.532 ' HB3' HD11 ' A' ' 88' ' ' LEU . 96.6 m95 -66.18 -38.2 87.45 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.353 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 mp -62.89 -32.13 73.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.049 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 82' ' ' GLN . 45.7 t -62.19 -51.35 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.73 19.18 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 112.163 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 84' ' ' TRP . 40.0 mt -74.37 -44.82 50.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.288 -175.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.86 -31.27 80.22 Favored Glycine 0 CA--C 1.512 -0.128 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.863 -173.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 t -66.7 -28.75 68.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 109.79 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -69.86 -42.11 73.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.014 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 51' ' ' ILE . 18.3 ttpt -56.88 -46.0 82.14 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.036 0.446 . . . . 0.0 111.574 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -175.536 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt -139.65 138.24 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.148 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 162.67 32.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.78 0.324 . . . . 0.0 110.767 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.11 -175.49 23.91 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.485 HG13 ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -115.37 158.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 117.097 0.449 . . . . 0.0 110.163 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.8 mm? -130.12 145.3 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.872 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.673 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 1.4 t80 -62.06 124.06 19.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.386 171.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -124.8 117.38 24.01 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.882 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -75.97 125.81 29.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -109.63 -77.43 0.6 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.511 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -132.13 159.25 39.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -66.67 -21.72 66.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.0 -41.36 64.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 p -89.24 -28.97 19.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.556 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -109.19 3.36 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.405 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 3.7 p-90 -124.76 150.48 46.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -131.36 121.73 18.62 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.44 106.0 1.16 Allowed 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.357 2.038 . . . . 0.0 111.527 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.4 tpm_? -106.73 151.3 25.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.485 ' CE3' HG13 ' A' ' 4' ' ' VAL . 42.8 t-105 -95.01 133.5 38.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.92 0.391 . . . . 0.0 110.366 -174.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CD1' HD23 ' A' ' 5' ' ' LEU . 94.7 m-85 -132.65 149.26 52.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.007 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 28' ' ' SER . 24.3 m -133.21 135.39 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 27' ' ' LEU . 1.8 tm? -103.99 118.55 36.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.2 131.64 15.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.667 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 59.71 38.67 21.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.222 0.534 . . . . 0.0 111.432 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 71.71 10.97 72.68 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.776 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.39 132.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.548 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 22' ' ' LEU . 2.6 tm? -104.76 110.85 23.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB2' HG21 ' A' ' 21' ' ' VAL . 15.2 m -106.3 136.72 45.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.683 0.278 . . . . 0.0 110.803 -172.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -106.55 135.53 47.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 82.2 m-85 -144.63 171.8 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 18' ' ' ARG . 3.8 t70 -73.22 -37.7 66.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.722 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.452 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 15.2 p -165.61 -174.51 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.509 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.96 -32.96 71.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.837 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HB3' ' H ' ' A' ' 32' ' ' SER . 35.3 t70 -67.26 -16.64 64.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.878 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.524 ' HA ' ' CG ' ' A' ' 30' ' ' TYR . 76.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.273 0.559 . . . . 0.0 110.81 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.16 120.43 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.417 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HG2' HG11 ' A' ' 48' ' ' VAL . 29.7 ttmt -78.03 116.03 18.21 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.334 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.597 ' SD ' HD22 ' A' ' 88' ' ' LEU . 1.1 mtp -65.58 -30.89 71.68 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 120.619 0.247 . . . . 0.0 111.117 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.38 -13.16 60.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.872 HG13 HD12 ' A' ' 65' ' ' ILE . 9.9 p -125.59 2.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.656 0.741 . . . . 0.0 110.21 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.669 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.4 t -129.43 125.19 35.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.404 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.556 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.0 mm-40 -88.27 133.65 34.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.318 0.58 . . . . 0.0 110.728 -178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.653 HG13 HG22 ' A' ' 53' ' ' VAL . 2.2 tp -99.43 118.92 46.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.629 ' HE3' HG22 ' A' ' 64' ' ' ILE . 15.6 mmtp -84.2 110.32 18.44 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.653 HG22 HG13 ' A' ' 51' ' ' ILE . 54.5 t . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.937 -172.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.764 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 14.8 p . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -110.45 121.05 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -167.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.63 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 2.3 mpp? -140.97 153.39 45.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 174.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -125.17 138.61 54.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.456 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.631 HD13 ' HG ' ' A' ' 49' ' ' CYS . 4.4 mm? -111.51 121.26 44.72 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.629 HG22 ' HE3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -123.25 115.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.375 0.607 . . . . 0.0 111.018 -178.031 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.872 HD12 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.73 115.81 18.12 Favored Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.437 -178.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 65' ' ' ILE . 36.0 Cg_exo -57.75 117.6 4.33 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.959 2.439 . . . . 0.0 112.529 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.7 -60.27 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.608 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -108.08 -55.96 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 13.8 pt20 45.56 -163.29 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.193 0.997 . . . . 0.0 113.61 173.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 t60 68.82 51.22 0.59 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.619 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.71 111.46 17.2 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -102.79 138.97 38.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.465 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 77.4 mtp -135.97 135.8 39.86 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.673 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 54.2 tttm -136.82 125.49 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.62 168.32 16.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.201 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.783 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.0 t -55.42 -57.27 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.007 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.642 ' C ' HG21 ' A' ' 59' ' ' THR . 35.8 p30 -137.34 -179.02 5.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.225 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -58.49 -41.43 85.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 -175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.77 97.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.522 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.783 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.3 mm-40 -60.9 -39.84 90.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.877 175.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.764 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.1 ttt180 -59.33 -44.99 92.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.83 174.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.546 ' O ' HG21 ' A' ' 86' ' ' VAL . 24.2 tp60 -60.5 -35.72 76.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.176 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -61.77 -46.66 88.63 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.319 0.581 . . . . 0.0 110.631 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.573 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -68.79 -35.6 77.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.466 HD12 ' HG2' ' A' ' 81' ' ' ARG . 4.9 mp -62.53 -31.78 72.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 176.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 82' ' ' GLN . 51.9 t -63.51 -51.48 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.572 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.0 -49.9 22.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.597 HD22 ' SD ' ' A' ' 46' ' ' MET . 34.1 mt -73.67 -40.73 63.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.849 -177.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.93 91.45 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 113.205 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.8 p -63.94 -28.45 69.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.072 0.463 . . . . 0.0 110.06 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 46.6 m -69.28 -47.24 65.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.588 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -34.9 78.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.225 0.536 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.821 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.091 -179.092 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . 0.543 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 89.0 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.033 0.445 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.48 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -141.03 142.23 34.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.845 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -137.29 156.93 47.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.675 0.274 . . . . 0.0 110.813 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.09 -173.6 31.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.678 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.494 ' C ' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.44 157.3 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.279 0.539 . . . . 0.0 110.21 178.257 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.494 HD21 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -133.75 151.36 51.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.67 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m-85 -70.06 100.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.242 175.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -98.91 116.44 31.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -67.94 133.97 50.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.525 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -119.02 -63.42 1.4 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.001 0.429 . . . . 0.0 110.732 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.79 162.34 41.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -75.33 -17.59 60.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.645 0.259 . . . . 0.0 111.493 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.38 -40.97 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.15 0.5 . . . . 0.0 110.065 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 p -87.96 -29.67 20.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.473 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.42 -98.49 2.18 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 13.6 p-90 -131.27 149.93 52.36 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -131.16 123.32 19.69 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.239 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.5 115.49 3.56 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.511 2.141 . . . . 0.0 111.876 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -115.66 152.8 32.48 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.969 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CE3' HG13 ' A' ' 4' ' ' VAL . 55.6 t-105 -94.11 124.48 38.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.118 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 92.8 m-85 -122.35 146.09 47.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.894 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.21 136.14 55.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.186 0.517 . . . . 0.0 110.54 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 2.9 tm? -102.19 120.03 39.79 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -135.95 107.78 7.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.611 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 53.63 46.06 26.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.471 172.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 -5.65 80.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.287 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.49 130.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 122.181 -0.599 . . . . 0.0 110.569 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.524 HD23 HD21 ' A' ' 22' ' ' LEU . 3.0 tm? -107.44 110.24 22.15 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -114.1 148.96 36.27 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.13 -175.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 45.3 p90 -118.04 149.6 40.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -132.95 173.46 11.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.91 -39.78 69.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.935 0.398 . . . . 0.0 110.727 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -155.29 -177.64 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.875 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.21 -43.19 95.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.089 0.471 . . . . 0.0 110.28 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -28.33 69.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.3 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.69 -15.87 63.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.125 -174.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 176.745 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -111.33 121.98 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.759 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -79.79 111.66 16.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.976 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.41 ' HE2' ' HB ' ' A' ' 51' ' ' ILE . 93.0 mmm -64.42 -26.5 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.855 0.36 . . . . 0.0 110.983 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.74 -11.97 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.646 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.902 HG12 HD13 ' A' ' 65' ' ' ILE . 9.2 p -125.51 2.07 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.658 0.742 . . . . 0.0 110.061 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 42.5 t -124.14 132.81 53.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.424 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.668 ' HB2' HG21 ' A' ' 64' ' ' ILE . 26.3 mt-10 -88.95 129.6 35.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.997 0.427 . . . . 0.0 110.019 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.661 HG13 HG23 ' A' ' 53' ' ' VAL . 2.4 tp -99.13 115.0 38.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -85.85 109.64 18.84 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -172.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.661 HG23 HG13 ' A' ' 51' ' ' ILE . 49.4 t . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -173.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.763 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 24.2 p . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 120.683 0.278 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.512 ' H ' ' HD2' ' A' ' 81' ' ' ARG . 17.2 mmm180 -135.26 103.65 5.6 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -171.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.749 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -143.38 143.21 31.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 122.247 -0.283 . . . . 0.0 110.761 174.095 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -120.64 138.53 53.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.5 mm? -108.05 120.8 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.668 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -126.84 115.7 42.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.417 0.627 . . . . 0.0 111.219 -178.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.902 HD13 HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.64 116.41 18.31 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.887 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.582 ' HD2' HD11 ' A' ' 65' ' ' ILE . 50.0 Cg_exo -53.32 115.26 2.18 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.042 2.495 . . . . 0.0 112.681 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.83 -58.67 0.65 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 30.3 mt-10 -100.44 -68.56 0.81 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 12.9 pt20 48.98 -168.47 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 168.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 63.32 39.57 9.34 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 94.0 m-85 -101.94 111.39 23.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.776 176.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -95.06 140.59 29.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.438 ' HG2' ' HG ' ' A' ' 5' ' ' LEU . 33.8 mtt -123.0 136.5 54.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.164 0.507 . . . . 0.0 110.698 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -133.84 121.51 21.89 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 81' ' ' ARG . . . -79.58 174.68 11.33 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.696 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.31 -65.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.244 0.545 . . . . 0.0 109.928 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.424 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 87.9 m-20 -118.14 162.45 18.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.331 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.19 64.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.054 0.454 . . . . 0.0 109.83 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.3 96.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 38.6 mm-40 -67.05 -33.17 74.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.763 ' HD2' ' HA ' ' A' ' 59' ' ' THR . 45.5 ttt180 -62.92 -41.89 99.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.172 173.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.532 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.1 tp60 -58.24 -34.78 70.82 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -62.21 -43.86 97.87 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.535 ' HB3' HD13 ' A' ' 88' ' ' LEU . 96.6 m95 -67.93 -36.94 81.01 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.154 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.2 mp -63.59 -32.24 73.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.604 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.1 t -63.55 -51.06 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.672 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.23 -50.15 23.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.193 0.52 . . . . 0.0 111.95 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.535 HD13 ' HB3' ' A' ' 84' ' ' TRP . 30.6 mt -74.59 -40.59 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.917 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.15 89.27 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.22 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -62.65 -26.77 68.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.142 0.496 . . . . 0.0 110.119 176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 88' ' ' LEU . 27.8 t -69.37 -47.92 62.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.064 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -60.97 -41.16 95.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.906 0.384 . . . . 0.0 110.978 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.213 -177.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 86.0 t80 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.858 0.361 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt -139.86 143.59 36.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.986 177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -135.81 153.63 51.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.207 0.317 . . . . 0.0 110.349 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.82 -164.29 27.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.753 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.473 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -124.31 161.38 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.991 0.395 . . . . 0.0 110.467 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.785 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -136.1 160.03 39.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.037 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.721 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -70.44 118.86 13.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.918 171.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -113.99 116.25 28.91 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -65.19 124.89 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -110.66 -70.16 0.83 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.818 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -142.84 162.63 34.96 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -71.23 -24.6 62.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.755 0.312 . . . . 0.0 110.961 -176.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.56 -41.25 63.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.221 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -84.48 -33.63 23.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.832 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.07 -97.29 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.721 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -122.97 135.14 54.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.828 0.347 . . . . 0.0 110.645 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -132.46 123.66 18.67 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.076 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.88 124.78 12.73 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.721 2.281 . . . . 0.0 112.217 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.43 155.76 34.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.958 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -93.68 124.46 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.36 0.413 . . . . 0.0 110.008 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 97.4 m-85 -125.69 144.02 50.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.42 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.428 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 3.1 tm? -102.0 121.22 41.75 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 175.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -137.79 107.29 6.16 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 t30 52.96 58.02 5.75 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.0 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.16 -7.71 66.36 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.892 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -114.86 131.05 68.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 117.579 0.689 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD21 HD21 ' A' ' 22' ' ' LEU . 2.9 tm? -104.09 115.66 30.83 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -107.39 142.62 36.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.74 0.305 . . . . 0.0 110.821 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -118.85 137.42 53.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.484 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.475 ' CD1' HG21 ' A' ' 36' ' ' VAL . 95.7 m-85 -137.32 171.03 15.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.442 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.18 -39.68 60.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.978 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -154.0 -178.4 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.468 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.65 -53.93 39.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.91 -25.93 68.37 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.276 0.56 . . . . 0.0 111.111 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -66.84 -21.08 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.943 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 30' ' ' TYR . 89.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.286 0.565 . . . . 0.0 110.98 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.739 0.304 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.94 120.13 60.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.454 0.645 . . . . 0.0 109.349 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -83.04 110.87 18.35 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.303 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 91' ' ' SER . 95.4 mmm -63.31 -27.5 69.37 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.43 -15.17 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 65' ' ' ILE . 6.4 p -125.33 1.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.759 0.79 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.806 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.8 t -135.84 118.88 16.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.803 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HB3' ' HE3' ' A' ' 52' ' ' LYS . 7.7 mt-10 -87.06 143.1 27.47 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.554 0.692 . . . . 0.0 111.14 -177.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.666 HD11 ' HB3' ' A' ' 61' ' ' MET . 2.2 tp -97.53 115.07 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 167.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' HE3' ' HB3' ' A' ' 50' ' ' GLU . 7.9 mmpt? -84.22 108.21 16.97 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -172.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.626 HG22 HG13 ' A' ' 51' ' ' ILE . 56.0 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.998 -173.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 45.6 p . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 121.01 0.433 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -128.8 98.31 4.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.026 0.441 . . . . 0.0 111.896 -174.049 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.666 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.8 mpp? -134.62 156.12 49.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -131.12 137.51 49.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.7 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.415 HD23 HD12 ' A' ' 51' ' ' ILE . 3.3 mm? -110.21 121.16 44.62 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 1.2 tp -126.25 116.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.513 0.673 . . . . 0.0 111.381 -177.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.833 HD11 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -128.52 115.9 19.68 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.74 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 65' ' ' ILE . 45.0 Cg_exo -56.7 111.86 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.914 2.409 . . . . 0.0 112.322 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 -62.66 0.62 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.721 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.457 ' C ' ' HG3' ' A' ' 69' ' ' GLN . 23.1 mt-10 -101.94 -59.81 1.64 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.451 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.457 ' HG3' ' C ' ' A' ' 68' ' ' GLU . 4.5 pp0? 45.21 -161.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 175.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.2 t60 66.41 38.96 4.13 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.737 0.78 . . . . 0.0 109.499 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.7 112.29 23.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.288 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.402 ' HH ' ' HA ' ' A' ' 60' ' ' ARG . 56.3 t80 -103.54 146.57 28.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.785 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -120.41 136.57 54.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.527 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.701 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 23.0 ttmm -152.29 123.02 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.93 -174.47 4.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.215 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.811 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 52.8 t -65.52 -61.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.63 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -136.37 174.73 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.384 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.83 -45.04 29.44 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.21 99.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.082 0.468 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.811 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 36.2 mm-40 -63.23 -38.63 91.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.542 0.687 . . . . 0.0 109.941 175.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.617 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.1 tmm_? -59.95 -40.14 87.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.086 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 tp60 -66.97 -33.8 76.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 0.0 111.02 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.573 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.3 m95 -69.37 -35.13 75.52 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.411 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.1 mp -60.63 -32.85 71.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.25 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.1 t -63.38 -51.89 65.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.14 176.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.72 -50.28 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 112.031 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.4 mt -72.93 -33.7 66.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.512 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.56 -31.43 74.73 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.898 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.4 t -57.05 -36.43 70.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 110.008 174.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 46' ' ' MET . 28.3 m -70.55 -49.89 43.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.489 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -37.51 87.76 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.773 0.321 . . . . 0.0 111.667 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.357 -176.656 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt -138.7 137.16 36.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.16 145.96 42.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.23 -169.17 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.466 ' C ' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -117.75 157.97 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.303 0.551 . . . . 0.0 110.27 179.036 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.466 HD21 ' C ' ' A' ' 4' ' ' VAL . 3.6 mm? -132.06 151.02 52.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.308 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.689 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 4.2 t80 -61.43 115.93 4.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 172.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -117.65 124.0 47.51 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.17 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -73.28 142.11 47.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.95 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 p -125.0 -78.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -136.85 156.88 47.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -67.7 -23.49 65.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.45 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.2 -40.01 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 0.0 110.99 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -88.59 -29.19 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.794 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -111.47 3.71 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CZ3' ' HA ' ' A' ' 6' ' ' TYR . 6.8 p-90 -127.75 149.27 50.31 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -131.74 125.01 20.19 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.878 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.81 116.82 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.367 2.044 . . . . 0.0 111.134 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.618 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.6 mmp_? -107.56 151.63 25.35 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -93.25 117.52 30.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 89.0 m-85 -114.76 144.19 43.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.004 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -133.38 135.33 56.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.15 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.634 HD21 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -103.47 119.66 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.52 112.29 5.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.422 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.41 44.94 23.61 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.664 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.76 -1.53 88.62 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.95 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.53 129.05 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD23 HD21 ' A' ' 22' ' ' LEU . 2.7 tm? -106.31 110.51 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -107.73 148.24 29.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.004 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 23.2 p90 -122.23 133.78 54.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.703 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CD1' HG22 ' A' ' 36' ' ' VAL . 58.3 m-85 -134.65 165.38 25.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.135 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.7 -36.73 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -158.03 -177.27 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -71.76 -39.41 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.122 0.487 . . . . 0.0 110.042 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.96 -25.19 63.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.23 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -89.31 -14.0 36.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.417 -173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 30' ' ' TYR . 59.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.004 0.43 . . . . 0.0 111.408 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.578 0.228 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.13 121.25 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.231 0.539 . . . . 0.0 110.296 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.662 ' HG2' HG13 ' A' ' 48' ' ' VAL . 18.4 ttmt -86.18 111.59 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.434 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.504 ' SD ' HD23 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -58.41 -35.18 71.66 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.547 -178.156 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.66 -9.57 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 65' ' ' ILE . 9.5 p -125.26 -3.87 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.24 0.543 . . . . 0.0 110.647 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.873 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 47.6 m -117.45 134.66 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.902 0.382 . . . . 0.0 110.454 -176.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' CB ' HG23 ' A' ' 64' ' ' ILE . 2.4 mm-40 -88.72 124.19 33.87 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.651 HG13 HG21 ' A' ' 53' ' ' VAL . 1.8 tp -98.9 114.34 36.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.0 mmmt -84.47 108.78 17.45 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.589 -169.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.651 HG21 HG13 ' A' ' 51' ' ' ILE . 55.5 t . . . . . 0 N--CA 1.448 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.259 -173.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.86 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 48.72 95.53 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.426 ' HB3' HD12 ' A' ' 51' ' ' ILE . 2.2 mpp? -133.78 140.72 47.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.779 173.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -113.59 139.32 49.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.108 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.491 HD23 HD13 ' A' ' 51' ' ' ILE . 4.0 mm? -109.03 121.5 45.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 109.739 175.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.498 HG23 ' CB ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -122.86 116.58 49.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.873 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.8 119.31 24.18 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.989 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.678 ' HD2' HD11 ' A' ' 65' ' ' ILE . 50.1 Cg_exo -54.41 122.82 12.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.999 2.466 . . . . 0.0 112.658 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.65 -50.35 0.78 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.177 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -107.67 -65.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.404 -0.118 . . . . 0.0 110.837 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.439 ' H ' HG22 ' A' ' 65' ' ' ILE . 28.1 pt20 47.18 -163.26 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.249 1.02 . . . . 0.0 113.389 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 68.58 52.92 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.734 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -125.96 112.86 16.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -103.78 135.45 45.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.712 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.45 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.8 mtp -130.61 137.27 49.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.092 0.472 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.689 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 58.0 tttm -138.36 121.88 17.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.95 169.31 18.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.072 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.72 -54.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 123.553 0.533 . . . . 0.0 111.001 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -143.04 168.44 19.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.142 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -50.98 -40.9 58.98 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.48 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.958 0.409 . . . . 0.0 111.872 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -63.33 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.453 0.644 . . . . 0.0 110.908 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.86 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -56.74 -38.14 71.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.036 172.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.52 ' O ' HG21 ' A' ' 86' ' ' VAL . 27.2 tp60 -67.76 -34.36 76.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.503 -176.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -64.47 -45.24 88.27 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 110.39 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.563 ' HB3' HD12 ' A' ' 88' ' ' LEU . 90.6 m95 -66.63 -36.26 82.15 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.155 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.521 HD21 ' HD2' ' A' ' 81' ' ' ARG . 3.1 mp -62.68 -32.23 73.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.748 177.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -64.19 -51.31 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.707 176.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -49.65 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 84' ' ' TRP . 30.0 mt -74.34 -44.64 51.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.292 0.568 . . . . 0.0 111.954 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.94 -29.99 73.92 Favored Glycine 0 N--CA 1.453 -0.18 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.153 -173.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -64.33 -26.92 68.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.908 0.385 . . . . 0.0 110.409 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.2 t -70.16 -49.41 50.8 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.753 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.6 -36.74 67.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 111.904 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.638 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.883 -179.058 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 72.9 t80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.885 0.374 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt -140.23 136.75 33.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 159.38 39.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.98 -170.82 30.73 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.459 ' C ' HD21 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -117.87 153.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 117.148 0.474 . . . . 0.0 110.365 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.6 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -130.44 150.21 51.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -70.66 103.13 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.163 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -98.25 116.67 30.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.807 0.337 . . . . 0.0 110.248 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -70.45 131.93 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.625 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -115.75 -65.27 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.068 0.461 . . . . 0.0 111.401 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -148.82 168.46 22.92 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -76.5 -27.04 55.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.578 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.66 -39.32 64.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.11 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 p -87.91 -26.93 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.756 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.26 -119.34 4.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 19.8 p-90 -120.98 157.51 29.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -129.79 123.19 20.94 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.699 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.42 94.94 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 111.673 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 30.9 mmt180 -102.44 155.95 17.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.195 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.418 ' CE3' HG11 ' A' ' 4' ' ' VAL . 49.4 t-105 -94.47 124.34 38.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.567 -171.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 88.2 m-85 -121.84 147.52 45.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.594 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG22 ' HE1' ' A' ' 30' ' ' TYR . 35.3 m -136.36 136.89 48.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.741 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.611 HD22 HD22 ' A' ' 27' ' ' LEU . 2.5 tm? -101.98 120.26 40.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 173.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -145.23 108.41 4.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.15 61.08 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.49 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.85 -8.02 12.84 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.888 -0.596 . . . . 0.0 114.2 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.95 132.5 60.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 117.769 0.785 . . . . 0.0 111.053 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD22 HD22 ' A' ' 22' ' ' LEU . 2.8 tm? -103.95 110.1 22.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -108.38 146.9 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.898 0.38 . . . . 0.0 111.249 -174.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -117.09 138.57 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.554 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 84.3 m-85 -128.02 167.88 16.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.26 -37.83 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.232 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 p -151.98 -179.18 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.995 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.62 -37.8 80.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.02 -34.85 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.35 -21.34 66.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.662 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.554 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 88.5 t . . . . . 0 C--O 1.235 0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.4 mt -110.9 120.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.442 0.639 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -81.07 112.73 18.71 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.322 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.492 ' HB3' ' HG ' ' A' ' 91' ' ' SER . 1.7 mtp -62.25 -33.57 74.87 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.001 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.41 60.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.967 HG12 HD13 ' A' ' 65' ' ' ILE . 9.5 p -124.69 -7.76 6.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.409 0.623 . . . . 0.0 110.383 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.78 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.8 t -117.23 122.45 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.999 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' HB2' HG21 ' A' ' 64' ' ' ILE . 38.8 mt-10 -88.04 135.03 33.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.169 0.509 . . . . 0.0 110.352 -175.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.687 HG13 HG22 ' A' ' 53' ' ' VAL . 2.0 tp -99.04 118.35 45.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.634 ' HE3' HG23 ' A' ' 64' ' ' ILE . 19.3 mmtp -84.06 108.55 17.06 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.13 0.49 . . . . 0.0 109.832 -172.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 51' ' ' ILE . 77.2 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.533 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.769 ' HA ' ' HG3' ' A' ' 81' ' ' ARG . 36.4 p . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -160.77 106.67 1.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.09 0.471 . . . . 0.0 111.904 175.523 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.733 ' SD ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mpp? -139.06 156.36 47.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.844 173.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -127.7 134.3 49.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.466 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 HD11 ' A' ' 51' ' ' ILE . 3.6 mm? -106.97 121.05 43.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.634 HG23 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -125.18 116.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-O 121.342 0.591 . . . . 0.0 111.473 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.967 HD13 HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.52 117.41 18.65 Favored Pre-proline 0 N--CA 1.449 -0.503 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.024 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.669 ' HD2' HD11 ' A' ' 65' ' ' ILE . 58.8 Cg_exo -53.49 119.67 6.57 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.113 2.542 . . . . 0.0 113.079 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.1 -46.48 1.21 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.118 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.91 -78.53 0.4 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.847 ' H ' HG21 ' A' ' 65' ' ' ILE . 20.9 pt20 43.06 -156.85 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.669 1.188 . . . . 0.0 112.91 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.0 t60 71.92 27.74 2.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 109.887 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -112.35 111.72 22.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.233 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -109.21 135.14 50.81 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.6 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.2 mtp -127.23 136.43 52.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.18 0.514 . . . . 0.0 110.334 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.69 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 80.7 tttt -138.51 123.62 19.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.9 177.77 8.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.231 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.77 -59.11 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 110.597 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -136.97 169.93 16.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.652 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.86 49.43 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.332 0.395 . . . . 0.0 111.647 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.4 92.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.965 0.412 . . . . 0.0 111.584 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.46 -39.17 89.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.696 0.76 . . . . 0.0 110.522 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.769 ' HG3' ' HA ' ' A' ' 59' ' ' THR . 2.2 tmt_? -63.92 -40.25 96.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.043 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 86' ' ' VAL . 22.3 tp60 -61.35 -34.68 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.51 -44.16 91.78 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.999 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.473 ' HB3' HD12 ' A' ' 88' ' ' LEU . 94.4 m95 -64.9 -35.72 82.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.166 0.508 . . . . 0.0 110.07 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.477 HD11 ' HD3' ' A' ' 81' ' ' ARG . 3.0 mp -62.83 -32.67 73.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.732 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -63.06 -51.01 77.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.635 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.33 -49.78 25.57 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.512 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.1 mt -73.52 -40.02 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.46 . . . . 0.0 112.006 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -35.61 92.3 Favored Glycine 0 C--O 1.234 0.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 113.499 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.6 p -64.94 -33.08 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.4 . . . . 0.0 110.643 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.492 ' HG ' ' HB3' ' A' ' 46' ' ' MET . 11.9 t -68.92 -43.09 75.89 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.968 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.819 ' HZ2' ' HB3' ' A' ' 92' ' ' LYS . 1.1 ttpm? -55.89 -39.09 71.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.299 0.639 . . . . 0.0 112.387 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.811 -172.522 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.447 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -131.97 138.74 48.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.879 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -144.48 150.13 37.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.26 -172.29 34.69 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.52 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.0 155.56 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.432 0.616 . . . . 0.0 110.458 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.655 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.5 160.14 39.39 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.869 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -73.61 117.15 15.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.284 0.564 . . . . 0.0 110.258 172.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -112.52 115.97 29.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.287 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.8 128.16 35.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.094 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 p -113.96 -62.98 1.52 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -158.28 159.12 35.63 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -75.18 -16.05 60.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.155 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.64 -41.46 62.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.42 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -83.75 -40.24 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.327 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.29 -108.48 3.62 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.869 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.9 p-90 -127.65 150.93 49.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -131.09 122.46 19.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.539 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.99 115.56 4.32 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.456 2.104 . . . . 0.0 111.398 171.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 29.7 mmt180 -118.38 159.05 24.11 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.448 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -93.99 117.68 30.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 82.3 m-85 -115.92 144.0 44.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.953 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.36 137.07 53.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.288 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.636 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -102.21 120.72 40.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.44 110.09 6.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.214 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.2 t30 50.45 53.24 13.27 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.314 171.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.59 -3.63 81.79 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.176 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -112.1 131.35 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.016 0.436 . . . . 0.0 110.414 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.636 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.67 110.5 22.7 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 p -116.74 135.44 53.76 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.136 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 49.9 p90 -104.43 148.51 26.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.411 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.524 ' CD2' HG21 ' A' ' 36' ' ' VAL . 95.5 m-85 -136.74 170.03 16.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.08 -40.14 68.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.011 0.434 . . . . 0.0 110.257 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -161.98 -176.09 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.809 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -64.05 -39.7 94.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 110.17 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.97 -32.84 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.377 0.608 . . . . 0.0 111.554 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -78.22 -16.57 57.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.287 -177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 30' ' ' TYR . 99.5 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.183 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.92 120.66 62.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.957 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -81.14 112.81 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.952 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.511 ' HE1' ' HB ' ' A' ' 51' ' ' ILE . 92.5 mmm -64.21 -27.12 68.84 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.446 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.25 -16.13 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.032 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 65' ' ' ILE . 9.9 p -125.55 0.59 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.618 0.723 . . . . 0.0 110.271 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.606 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.9 t -122.23 133.11 54.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.068 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' OE1' ' HG3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -88.37 146.98 24.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.723 0.773 . . . . 0.0 110.229 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.652 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -119.09 114.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.289 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.857 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.3 mmpt? -85.18 108.68 17.83 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.913 -170.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 51' ' ' ILE . 38.5 t . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.415 -171.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.768 ' H ' ' HD2' ' A' ' 81' ' ' ARG . 17.2 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -107.58 118.57 37.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.978 0.418 . . . . 0.0 111.301 -170.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.574 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.9 mpp? -138.36 156.53 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.93 138.04 50.67 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.407 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.26 120.63 42.35 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -123.06 114.54 42.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.491 0.662 . . . . 0.0 110.853 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.889 HD11 HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -124.96 115.89 26.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.623 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.9 Cg_exo -53.32 119.48 6.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.269 2.646 . . . . 0.0 112.872 -174.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.28 -53.03 0.62 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.936 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.12 -71.23 0.69 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.458 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.7 pt20 45.41 -161.46 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.512 1.125 . . . . 0.0 113.704 174.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 68.56 38.6 2.29 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.091 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -111.45 111.9 23.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.487 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -102.86 143.02 33.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.655 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -121.07 136.53 54.96 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.645 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 47.5 tttp -147.18 122.23 10.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.17 0.51 . . . . 0.0 110.438 172.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 173.83 8.91 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.929 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.691 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 75.5 t -55.76 -57.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.46 0.475 . . . . 0.0 111.033 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.605 ' C ' HG22 ' A' ' 59' ' ' THR . 31.8 p30 -139.81 179.31 6.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.153 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -57.44 -39.17 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 110.992 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.43 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.422 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.691 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 28.8 mm-40 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.302 0.573 . . . . 0.0 110.58 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.768 ' HD2' ' H ' ' A' ' 59' ' ' THR . 23.8 ttt180 -57.63 -45.19 85.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.906 174.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.7 tp60 -61.84 -33.12 73.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.795 -176.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.11 -45.09 93.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.594 ' HB3' HD11 ' A' ' 88' ' ' LEU . 96.6 m95 -69.05 -34.96 76.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.084 0.469 . . . . 0.0 110.46 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.593 ' HG ' HG11 ' A' ' 53' ' ' VAL . 5.7 mp -60.86 -32.37 71.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.153 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.8 t -65.58 -52.08 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.106 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.86 -50.31 24.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.268 0.556 . . . . 0.0 111.825 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 84' ' ' TRP . 27.8 mt -74.42 -41.97 59.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.655 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.95 -32.04 76.5 Favored Glycine 0 N--CA 1.454 -0.161 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.048 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.0 p -67.84 -26.18 65.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -69.61 -34.16 73.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.09 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HG3' ' OE1' ' A' ' 50' ' ' GLU . 12.1 ttpp -64.21 -22.3 66.89 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.549 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.494 -177.536 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt -141.9 137.53 31.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 155.63 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.9 -171.3 34.93 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.665 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.5 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -113.21 157.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.06 179.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.583 ' HG ' ' HE2' ' A' ' 73' ' ' MET . 3.5 mm? -134.87 155.18 51.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.715 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -71.74 126.76 30.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.351 173.573 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.06 124.24 42.67 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.992 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -74.68 99.58 3.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -69.84 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -162.08 171.37 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.553 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -57.04 -35.61 69.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.89 -41.4 87.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.702 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -87.35 -28.48 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 111.561 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.29 -91.21 1.64 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.18 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.502 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 3.5 p-90 -140.1 140.59 36.1 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -131.29 123.82 19.89 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.0 129.31 21.6 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.646 2.23 . . . . 0.0 111.945 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 25.1 mmt180 -120.66 155.34 34.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.705 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.408 ' HE3' HG12 ' A' ' 4' ' ' VAL . 62.3 t-105 -94.34 121.54 35.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' CD2' HD22 ' A' ' 5' ' ' LEU . 98.5 m-85 -122.91 147.79 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.102 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.44 136.22 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.256 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 27' ' ' LEU . 2.9 tm? -103.19 119.34 38.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -144.6 121.11 11.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.953 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 60.75 29.76 19.23 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.898 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.13 7.12 83.83 Favored Glycine 0 C--N 1.322 -0.237 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.568 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -115.05 134.37 58.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.567 HD21 HD22 ' A' ' 22' ' ' LEU . 2.7 tm? -104.42 110.68 23.04 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -108.04 140.32 41.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -103.61 146.04 29.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.783 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -138.08 155.42 48.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.064 0.459 . . . . 0.0 110.504 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.17 -27.72 61.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.056 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 t -168.56 -176.96 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.124 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -38.16 88.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.202 0.525 . . . . 0.0 109.871 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.51 -20.94 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.082 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.69 -15.03 53.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.175 0.512 . . . . 0.0 110.561 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.885 -179.656 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt -110.45 119.63 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.384 0.611 . . . . 0.0 109.937 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -83.48 113.8 21.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.9 mmm -64.74 -27.7 69.08 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.71 -10.41 59.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.907 HG11 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.67 -6.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.26 0.553 . . . . 0.0 110.235 176.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.726 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.7 t -121.83 125.28 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.869 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HB2' HG22 ' A' ' 64' ' ' ILE . 26.7 mt-10 -87.25 133.66 33.64 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.272 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.466 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -97.97 113.32 32.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 164.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HD2' HG21 ' A' ' 64' ' ' ILE . 3.2 mtpt -99.91 108.72 21.03 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.79 0.805 . . . . 0.0 109.667 -170.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 HG23 HG13 ' A' ' 51' ' ' ILE . 41.0 t . . . . . 0 N--CA 1.444 -0.768 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.097 -174.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.84 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 39.4 p . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 32.76 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 1.2 mpp? -133.93 157.09 46.9 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.47 138.72 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.061 -0.399 . . . . 0.0 111.831 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.15 121.45 43.8 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -127.89 117.0 44.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.433 0.635 . . . . 0.0 111.304 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.907 HD13 HG11 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -125.43 118.25 24.87 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.604 ' HD2' HD11 ' A' ' 65' ' ' ILE . 39.1 Cg_exo -58.43 111.85 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.92 2.413 . . . . 0.0 112.077 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.98 -62.68 0.62 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.331 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -104.23 -60.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.689 -0.115 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 65' ' ' ILE . 11.1 pt20 48.16 -160.85 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.346 1.058 . . . . 0.0 113.561 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.5 t60 65.84 48.97 1.75 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.091 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.04 111.27 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -101.01 139.14 37.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.583 ' HE2' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -120.98 137.81 54.46 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -175.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 18.1 ttpp -150.38 120.27 7.12 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.496 ' HB1' HG23 ' A' ' 59' ' ' THR . . . -76.08 -179.15 4.78 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.758 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.779 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.3 t -62.22 -57.74 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.093 0.473 . . . . 0.0 110.086 177.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.419 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 11.0 p30 -142.65 175.03 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.603 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.27 -44.65 16.66 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -44.63 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.779 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.8 mm-40 -61.2 -38.63 87.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.254 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.84 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 22.0 ttp180 -57.23 -45.87 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.982 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 86' ' ' VAL . 56.3 tp60 -62.41 -34.52 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.447 ' HD3' ' OE1' ' A' ' 80' ' ' GLU . 68.1 mtp180 -66.08 -44.51 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.739 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.518 ' CZ2' HD21 ' A' ' 5' ' ' LEU . 94.9 m95 -66.67 -35.81 81.05 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 109.957 175.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.444 HD12 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.724 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.6 t -64.2 -51.6 66.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.792 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.19 20.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.452 . . . . 0.0 111.627 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 84' ' ' TRP . 31.0 mt -74.89 -44.86 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.791 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.43 -36.75 93.57 Favored Glycine 0 CA--C 1.513 -0.055 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.131 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.5 m -61.98 -28.68 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.19 0.519 . . . . 0.0 110.172 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t -71.3 -36.02 71.5 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.713 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -70.78 -43.09 69.45 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 0.0 110.525 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.021 -179.614 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 62.0 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt -127.29 135.57 50.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.357 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.905 0.383 . . . . 0.0 111.339 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.44 -167.22 28.58 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.486 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.1 m -117.73 159.89 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.245 0.523 . . . . 0.0 110.6 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.723 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.8 159.79 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -68.53 127.7 33.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.292 172.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -121.18 117.7 27.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.058 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -73.38 131.75 42.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.652 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 p -117.95 -73.24 0.65 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -139.8 155.24 47.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -71.48 -17.25 62.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.974 0.416 . . . . 0.0 110.071 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.01 -41.42 64.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.678 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -84.91 -36.33 21.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.204 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.28 -102.84 2.62 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.549 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 7.1 p-90 -137.91 147.66 44.6 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -127.93 122.1 22.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.26 123.75 12.32 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.062 1.841 . . . . 0.0 111.577 172.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.21 156.52 34.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.255 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -94.27 122.5 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.095 0.474 . . . . 0.0 110.262 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.405 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 89.9 m-85 -122.99 145.26 48.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.378 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -135.94 136.28 49.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.6 HD23 HD22 ' A' ' 27' ' ' LEU . 2.8 tm? -102.81 118.82 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -147.34 121.79 9.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.199 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 56.89 42.02 27.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.609 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.95 5.14 84.31 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.837 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.428 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 38.6 mm -116.45 132.34 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.6 HD22 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -104.48 109.0 20.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 p -108.82 148.79 30.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.05 0.452 . . . . 0.0 111.391 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -121.07 135.09 55.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.096 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CD2' HG23 ' A' ' 36' ' ' VAL . 97.1 m-85 -132.33 170.68 14.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -71.55 -39.86 70.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.411 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 68.9 m -156.75 -178.21 7.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.208 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.6 -49.61 76.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.114 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 -30.78 71.12 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.104 0.478 . . . . 0.0 111.302 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.8 t70 -69.06 -24.01 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.508 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' A' ' 30' ' ' TYR . 94.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.212 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.428 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 9.7 p . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.047 0.451 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.9 mt -112.56 124.28 69.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.164 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -79.5 114.65 18.59 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.081 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.449 ' SD ' HD21 ' A' ' 88' ' ' LEU . 1.7 mtp -62.82 -31.77 72.83 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.289 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.01 -9.62 58.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.896 HG11 HD13 ' A' ' 65' ' ' ILE . 9.1 p -124.62 2.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.781 0.8 . . . . 0.0 109.899 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.675 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 31.3 t -129.21 128.19 42.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.324 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 64' ' ' ILE . 49.5 mt-10 -86.81 138.96 31.16 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.054 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.72 116.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 166.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.661 ' HE2' HG22 ' A' ' 64' ' ' ILE . 29.5 mmtt -83.01 106.64 14.99 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.98 -169.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' A' ' 92' ' ' LYS . 72.1 t . . . . . 0 N--CA 1.446 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.927 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.561 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 22.4 p . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -89.12 127.97 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -168.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -141.14 157.83 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.895 174.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -123.43 141.21 52.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.842 -0.536 . . . . 0.0 111.074 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.04 120.47 41.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.661 HG22 ' HE2' ' A' ' 52' ' ' LYS . 1.2 tp -124.56 115.76 45.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.428 0.632 . . . . 0.0 111.56 -176.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.896 HD13 HG11 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -128.45 114.05 19.62 Favored Pre-proline 0 N--CA 1.448 -0.551 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.672 177.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.662 ' HD2' HD11 ' A' ' 65' ' ' ILE . 51.5 Cg_exo -54.12 115.18 2.19 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.096 2.531 . . . . 0.0 112.945 -172.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.95 -55.21 0.55 Allowed Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.686 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 38.6 mt-10 -88.73 -71.84 0.57 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.535 ' H ' HG22 ' A' ' 65' ' ' ILE . 10.3 pt20 43.48 -157.72 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.427 1.08 . . . . 0.0 113.609 169.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 65.7 29.94 10.53 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.493 0.663 . . . . 0.0 109.95 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -105.25 111.75 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.703 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.429 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -106.97 141.48 38.12 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.723 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -121.17 137.03 54.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.143 -174.066 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 85.4 tttt -148.13 120.53 8.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 169.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.94 176.23 9.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.373 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.881 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.2 t -55.88 -54.68 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.064 0.459 . . . . 0.0 110.649 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.49 ' C ' HG21 ' A' ' 59' ' ' THR . 32.1 p30 -143.72 177.98 8.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.304 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -54.61 -39.18 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 111.22 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.06 88.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.834 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.881 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.6 mm-40 -60.87 -36.44 79.19 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.301 0.572 . . . . 0.0 110.349 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.607 ' HG2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -56.75 -40.32 75.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.989 174.496 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.9 tp60 -64.92 -33.9 77.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.037 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.436 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 57.0 mtt180 -63.66 -44.1 94.77 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.096 0.474 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.555 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.9 m95 -68.27 -35.33 77.71 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.073 175.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.607 HD12 ' HG2' ' A' ' 81' ' ' ARG . 5.5 mp -63.15 -31.15 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.932 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.86 -51.64 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.09 25.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.084 0.469 . . . . 0.0 112.071 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 84' ' ' TRP . 23.4 mt -73.98 -40.13 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.612 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 85' ' ' LEU . . . -69.94 -30.02 70.43 Favored Glycine 0 CA--C 1.512 -0.129 0 CA-C-N 115.773 -0.648 . . . . 0.0 113.327 -173.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -63.96 -30.78 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 50.8 m -69.77 -37.56 76.41 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.752 173.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.515 ' HD3' ' HB ' ' A' ' 53' ' ' VAL . 16.1 ttpp -59.46 -21.1 59.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.885 -177.508 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 78.9 t80 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tpt -140.35 139.7 35.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.416 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -140.39 163.68 32.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.578 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.33 24.4 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.432 ' C ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -112.26 157.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 117.666 0.733 . . . . 0.0 110.565 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD22 ' CE2' ' A' ' 84' ' ' TRP . 3.6 mm? -132.41 150.07 52.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.187 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.672 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -71.49 119.84 16.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.808 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -123.52 123.41 40.55 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -85.56 128.95 34.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.579 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.443 ' HG1' ' CD ' ' A' ' 16' ' ' GLN . 59.0 p -109.98 -81.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.708 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -127.09 156.78 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -68.45 -21.97 64.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.42 -41.02 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.936 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.648 ' HB ' ' NE2' ' A' ' 16' ' ' GLN . 3.1 p -82.34 -40.4 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.292 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.49 -125.85 8.72 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.749 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.604 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.7 p-90 -110.22 136.38 49.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.648 ' NE2' ' HB ' ' A' ' 13' ' ' THR . 23.5 mp0 -121.37 120.88 28.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.526 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.96 126.24 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.277 1.985 . . . . 0.0 111.983 170.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.594 HH11 ' HA ' ' A' ' 31' ' ' ASP . 22.9 mmt180 -129.64 155.77 45.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -94.01 120.9 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 110.179 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 58.7 m-85 -115.97 148.91 39.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.54 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG22 ' HE2' ' A' ' 30' ' ' TYR . 34.7 m -135.58 135.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.999 0.428 . . . . 0.0 110.445 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.78 120.3 40.36 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -138.88 106.19 5.52 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 123.299 0.374 . . . . 0.0 110.451 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 49.22 64.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.53 -10.47 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.978 -0.63 . . . . 0.0 113.986 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mm -114.86 130.91 68.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.859 0.829 . . . . 0.0 111.128 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.6 111.28 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -113.27 144.38 42.82 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 122.312 -0.242 . . . . 0.0 111.025 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.474 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 41.2 p90 -117.89 139.04 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.691 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HE2' HG22 ' A' ' 21' ' ' VAL . 71.1 m-85 -130.57 177.85 7.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.765 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.594 ' HA ' HH11 ' A' ' 18' ' ' ARG . 13.0 t70 -69.02 -38.47 79.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.433 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 p -172.5 -171.93 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -44.93 86.61 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.284 0.365 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.69 -39.65 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.861 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 30' ' ' TYR . 26.6 t70 -74.0 -14.58 61.04 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.531 -172.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.499 . . . . 0.0 110.724 178.334 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.7 mt -110.89 120.72 62.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.568 0.699 . . . . 0.0 110.323 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -83.84 114.47 21.66 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.43 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.43 ' SD ' HD21 ' A' ' 88' ' ' LEU . 1.7 mtp -63.99 -28.85 70.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.965 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.24 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.995 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.908 HG11 HD12 ' A' ' 65' ' ' ILE . 8.2 p -125.0 0.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.525 0.678 . . . . 0.0 110.336 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.633 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 41.2 t -126.19 134.74 51.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.428 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.657 ' HB2' HG21 ' A' ' 64' ' ' ILE . 53.3 mt-10 -89.36 134.76 33.93 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.444 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.638 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.91 115.88 41.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 165.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -85.38 109.34 18.34 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.234 0.54 . . . . 0.0 109.766 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.638 HG23 HG13 ' A' ' 51' ' ' ILE . 74.2 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.358 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.591 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 43.4 p . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -128.56 99.48 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.804 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.774 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.1 mpp? -141.78 155.35 45.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.603 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -136.58 141.59 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.095 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 51' ' ' ILE . 3.9 mm? -111.01 120.28 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -124.86 116.07 46.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.553 0.692 . . . . 0.0 111.027 -178.068 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.908 HD12 HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -126.38 115.2 23.33 Favored Pre-proline 0 N--CA 1.447 -0.579 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.739 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 65' ' ' ILE . 43.4 Cg_exo -56.55 114.81 2.08 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.918 2.412 . . . . 0.0 112.279 -175.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.78 -58.63 0.69 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.804 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.427 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 24.5 mt-10 -101.91 -62.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.427 ' HG2' ' C ' ' A' ' 68' ' ' GLU . 17.1 pt20 46.28 -162.25 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.337 1.055 . . . . 0.0 113.564 171.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 67.9 40.78 2.26 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.382 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.65 112.34 23.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.789 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -108.45 146.94 32.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mtt -127.86 137.28 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.263 0.554 . . . . 0.0 112.205 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.672 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 78.8 tttt -138.28 122.11 17.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.225 166.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HB1' HG21 ' A' ' 59' ' ' THR . . . -79.72 -179.71 7.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.245 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.75 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 94.4 t -59.04 -55.74 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.11 0.481 . . . . 0.0 110.746 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.447 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -145.56 170.68 15.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.838 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -49.33 -42.71 42.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.35 97.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.009 0.433 . . . . 0.0 111.412 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.75 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 20.7 mm-40 -64.8 -33.69 76.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.595 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.774 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 26.8 ttt180 -58.63 -45.23 89.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.588 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.0 tp60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.787 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -62.26 -45.53 92.88 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.055 0.455 . . . . 0.0 111.035 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 88' ' ' LEU . 92.8 m95 -68.84 -36.6 78.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 109.937 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.2 mp -60.34 -32.54 71.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.097 175.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 82' ' ' GLN . 41.8 t -62.78 -51.76 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.894 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.28 15.19 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.029 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB3' HG12 ' A' ' 51' ' ' ILE . 35.3 mt -73.48 -44.94 56.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.339 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.47 -33.27 86.79 Favored Glycine 0 C--O 1.229 -0.163 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.811 -173.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.9 m -65.24 -31.97 73.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.025 0.44 . . . . 0.0 110.193 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 t -70.51 -32.03 69.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.54 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.418 ' HB2' HG23 ' A' ' 51' ' ' ILE . 14.3 tttm -70.14 -39.95 75.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.902 0.382 . . . . 0.0 111.076 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.857 -176.148 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 74.7 t80 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -140.06 140.29 36.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.264 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.7 153.45 49.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.79 -165.67 28.82 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.26 160.87 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 117.12 0.46 . . . . 0.0 110.39 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.474 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -133.22 151.73 51.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.202 176.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.73 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -67.9 119.79 13.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.982 171.465 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 7' ' ' LYS . 1.7 tmtp? -116.96 116.64 27.77 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -74.4 123.03 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.126 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 p -106.26 -65.26 1.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -155.24 166.77 32.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -70.33 -26.89 63.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.723 0.297 . . . . 0.0 110.817 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.85 -41.58 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.037 0.446 . . . . 0.0 111.129 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 p -86.11 -27.2 24.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.546 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.8 -121.67 5.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.633 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.73 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.3 p-90 -113.7 145.18 41.73 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 21.6 mm-40 -130.75 121.88 19.29 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.426 176.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 37.9 Cg_endo -67.71 114.98 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.643 2.228 . . . . 0.0 111.883 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -112.32 154.24 25.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -93.58 127.79 39.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.69 145.52 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.835 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.523 HG23 ' HE1' ' A' ' 30' ' ' TYR . 27.9 m -134.09 136.4 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.976 0.417 . . . . 0.0 110.064 174.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD22 HD21 ' A' ' 27' ' ' LEU . 3.0 tm? -102.29 119.44 38.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -144.44 131.3 20.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.16 0.505 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 57.73 31.53 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.123 173.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.69 8.32 87.0 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.066 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.69 134.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.543 -0.386 . . . . 0.0 110.246 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD21 HD22 ' A' ' 22' ' ' LEU . 2.7 tm? -105.67 110.03 22.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -108.41 148.86 29.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -176.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -110.84 145.17 38.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.646 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 97.3 m-85 -133.96 162.63 31.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.484 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.53 -37.66 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 p -161.16 -176.72 5.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.889 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.19 -47.88 78.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.521 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.7 -19.16 62.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.61 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -68.39 -18.05 64.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.128 0.49 . . . . 0.0 110.226 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.646 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 90.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.915 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 121.003 0.43 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 HG21 ' SG ' ' A' ' 49' ' ' CYS . 85.6 mt -110.31 120.15 60.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.563 0.697 . . . . 0.0 109.468 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.562 ' HG2' HG11 ' A' ' 48' ' ' VAL . 22.0 ttmt -84.08 104.35 14.07 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.427 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.402 ' HE1' ' HB ' ' A' ' 51' ' ' ILE . 94.7 mmm -59.2 -26.87 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 111.585 -177.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.62 63.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.937 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.714 HG13 HD11 ' A' ' 65' ' ' ILE . 6.3 p -125.36 -2.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.434 0.635 . . . . 0.0 110.372 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.834 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 33.6 m -122.36 127.94 50.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.255 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.658 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.6 mm-40 -87.93 128.99 35.37 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.297 0.57 . . . . 0.0 110.726 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.616 HG13 HG21 ' A' ' 53' ' ' VAL . 2.3 tp -97.92 122.5 49.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HE3' HG22 ' A' ' 64' ' ' ILE . 13.3 mmtp -84.58 107.08 16.61 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.721 -172.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.616 HG21 HG13 ' A' ' 51' ' ' ILE . 88.8 t . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.005 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.62 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 73.6 p . . . . . 0 N--CA 1.467 0.397 0 CA-C-O 121.104 0.478 . . . . 0.0 112.208 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -131.91 94.34 3.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.474 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.2 mpp? -139.24 153.86 47.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -136.76 139.74 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.002 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.94 121.01 43.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.658 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -123.42 115.7 46.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.451 0.643 . . . . 0.0 110.718 -179.182 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.834 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -130.28 119.94 18.83 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.936 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.67 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.9 Cg_exo -56.15 124.8 17.15 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.628 2.219 . . . . 0.0 111.96 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.68 -52.22 0.68 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.958 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 24.7 mt-10 -110.48 -68.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.74 -0.27 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 2.3 pt20 48.62 -161.46 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.081 0.952 . . . . 0.0 113.326 174.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 64.78 50.95 1.92 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.698 0.761 . . . . 0.0 110.104 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.72 116.34 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.992 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -110.42 139.32 45.76 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.474 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 28.6 mtt -121.42 136.85 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.181 0.515 . . . . 0.0 111.378 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.684 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 81.0 tttt -134.98 121.1 20.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.94 178.93 7.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.828 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 80.5 t -58.6 -55.88 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.692 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.428 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -142.73 171.51 13.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.194 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.537 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.71 -41.43 31.77 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.08 90.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.828 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 17.6 mm-40 -60.94 -36.11 78.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 109.92 177.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.62 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.73 -45.82 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.982 174.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.588 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 1.8 tt0 -68.31 -32.46 72.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.521 -176.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -61.44 -42.69 99.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.919 0.39 . . . . 0.0 110.631 176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.455 ' HB3' HD11 ' A' ' 88' ' ' LEU . 93.0 m95 -66.62 -38.84 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.145 173.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 6.7 mp -60.14 -32.72 71.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.507 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG21 ' O ' ' A' ' 82' ' ' GLN . 48.8 t -63.54 -51.74 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.006 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.97 25.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 111.597 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 84' ' ' TRP . 25.4 mt -72.46 -37.26 68.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.235 0.54 . . . . 0.0 111.135 -176.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.85 -31.65 73.04 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.886 -0.674 . . . . 0.0 111.605 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -61.77 -35.91 79.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -66.8 -49.59 65.34 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.475 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.439 ' HZ3' ' CD ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -63.66 -37.25 86.65 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.132 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.762 -178.654 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 90.0 t80 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -137.27 137.16 38.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.759 0.314 . . . . 0.0 111.173 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -143.5 162.09 36.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.991 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.44 179.87 22.91 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.511 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.454 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -106.2 157.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.213 0.53 . . . . 0.0 110.155 178.711 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.575 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -131.41 151.34 51.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.034 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.657 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -70.62 99.84 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.945 175.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -99.01 115.37 28.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.024 0.44 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.01 139.04 48.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.823 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -120.05 -68.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -143.38 163.23 33.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -62.79 -33.71 75.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.82 -41.07 62.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -84.25 -31.37 25.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.812 -176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.98 -119.16 5.03 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.604 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 12.4 p-90 -119.18 154.42 33.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 -177.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -127.71 123.0 22.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.676 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.55 105.37 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.6 2.2 . . . . 0.0 111.91 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 32.7 mmt180 -111.25 150.55 29.45 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.371 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.408 ' CE3' HG12 ' A' ' 4' ' ' VAL . 39.3 t-105 -94.16 125.47 38.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.249 -173.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 5' ' ' LEU . 58.1 m-85 -120.13 148.08 44.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.999 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -135.69 136.58 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.468 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.605 HD23 HD21 ' A' ' 27' ' ' LEU . 2.7 tm? -102.53 119.12 38.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.55 115.74 8.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -174.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 54.33 38.69 29.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.833 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 2.95 86.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.383 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 37.6 mm -113.43 128.14 70.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.903 0.383 . . . . 0.0 110.247 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD21 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -100.76 108.79 20.71 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 m -108.0 146.63 32.24 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.7 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -116.18 146.12 42.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.916 0.389 . . . . 0.0 110.022 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CD2' HG22 ' A' ' 36' ' ' VAL . 72.8 m-85 -136.57 169.71 17.25 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.64 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.86 -38.43 91.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.025 0.44 . . . . 0.0 110.191 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 p -172.06 -173.26 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.031 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -56.34 -45.49 80.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.39 -33.49 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.035 -177.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.006 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.486 HG22 ' CD2' ' A' ' 30' ' ' TYR . 95.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.27 0.557 . . . . 0.0 110.074 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.45 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 8.8 p . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -112.09 120.47 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.314 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HB3' HG11 ' A' ' 48' ' ' VAL . 31.9 ttmt -77.8 116.51 18.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.735 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.402 ' SD ' HD21 ' A' ' 88' ' ' LEU . 1.7 mtp -64.16 -30.84 71.88 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -9.76 54.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.655 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.931 HG13 HD12 ' A' ' 65' ' ' ILE . 9.8 p -126.2 1.21 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.223 0.535 . . . . 0.0 110.463 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.701 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.6 t -129.94 131.45 45.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -175.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.676 ' HB2' HG21 ' A' ' 64' ' ' ILE . 20.3 mt-10 -88.92 132.26 34.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.54 HG13 HG21 ' A' ' 53' ' ' VAL . 1.2 tp -98.61 119.59 46.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 165.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -84.24 106.95 16.26 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.397 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.54 HG21 HG13 ' A' ' 51' ' ' ILE . 96.2 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.784 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.815 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 21.8 p . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -73.14 116.24 13.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.0 156.95 38.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.111 0.481 . . . . 0.0 111.17 165.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -121.01 143.81 48.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.481 -174.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.76 121.91 45.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.409 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.676 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -124.38 117.01 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.318 0.58 . . . . 0.0 110.779 -178.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.931 HD12 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.08 119.63 18.89 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.525 -178.274 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.596 ' HD2' HD13 ' A' ' 65' ' ' ILE . 52.2 Cg_exo -55.97 121.69 10.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.567 2.178 . . . . 0.0 111.659 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.4 -55.23 0.7 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -114.62 -65.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.521 ' HB2' HD12 ' A' ' 64' ' ' ILE . 9.3 pt20 52.77 -173.14 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 60.77 50.22 5.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.916 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.84 111.55 24.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.376 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -99.91 129.64 46.01 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.575 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 86.7 mtp -124.56 136.48 54.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.154 0.502 . . . . 0.0 109.841 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -132.5 127.01 34.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.9 177.72 8.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.843 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 t -59.91 -60.48 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.665 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -136.39 178.3 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.11 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -49.8 -47.61 51.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.98 0.512 . . . . 0.0 112.275 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.15 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.843 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 13.3 mm-40 -63.97 -38.46 91.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.353 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.815 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 10.7 ttt180 -59.26 -44.32 92.42 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.546 173.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 57.5 tp60 -59.87 -33.01 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.553 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -63.35 -46.18 87.73 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.138 0.494 . . . . 0.0 110.409 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.531 ' HB3' HD11 ' A' ' 88' ' ' LEU . 96.5 m95 -65.07 -37.71 88.43 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.811 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.596 HD12 ' HG2' ' A' ' 81' ' ' ARG . 6.3 mp -63.11 -32.1 73.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.507 178.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.55 -51.84 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.853 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.34 22.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.995 0.426 . . . . 0.0 111.896 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 84' ' ' TRP . 44.7 mt -72.84 -39.98 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.593 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.85 -30.67 77.63 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.889 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -63.98 -28.41 69.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 50.1 m -70.14 -49.66 48.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.743 174.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.435 ' HE2' ' HB ' ' A' ' 53' ' ' VAL . 17.3 ttpp -56.84 -42.64 80.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.481 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.405 -177.641 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.5 t80 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.479 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -139.95 141.14 36.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.129 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.21 151.42 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.56 -170.26 33.49 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.04 160.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 117.309 0.554 . . . . 0.0 110.425 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HG ' ' HG2' ' A' ' 73' ' ' MET . 3.0 mm? -135.26 150.97 50.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.199 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.752 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -74.61 120.08 19.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.065 172.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -113.78 117.56 31.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -67.9 131.48 45.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.818 0.342 . . . . 0.0 110.177 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -114.12 -79.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.53 162.25 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -63.09 -29.57 70.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.419 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.27 -40.75 64.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 111.588 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -88.08 -24.63 23.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.711 -177.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 -122.14 5.96 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.009 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.752 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.6 p-90 -108.75 144.08 37.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -177.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -130.86 122.76 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.987 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.35 131.05 14.64 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.67 2.247 . . . . 0.0 112.032 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -133.05 160.15 37.99 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -93.44 123.7 36.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.137 0.494 . . . . 0.0 110.268 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 55.8 m-85 -121.25 145.25 48.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.698 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 m -135.28 138.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.009 0.433 . . . . 0.0 110.424 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 HD22 HD22 ' A' ' 27' ' ' LEU . 2.8 tm? -100.57 118.78 37.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -134.63 106.6 7.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.001 0.905 . . . . 0.0 111.286 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 53.39 60.14 3.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.118 172.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 81.81 -8.7 58.98 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.772 -0.728 . . . . 0.0 114.055 176.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.89 136.21 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 117.495 0.648 . . . . 0.0 110.278 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.531 HD22 HD22 ' A' ' 22' ' ' LEU . 3.2 tm? -102.86 110.21 22.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -107.6 130.63 54.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.579 0.704 . . . . 0.0 111.364 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 31.2 p90 -100.67 140.99 34.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.022 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.9 m-85 -136.41 159.05 42.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.15 0.5 . . . . 0.0 110.024 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -76.21 -23.21 54.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.503 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 14.4 t -158.22 -174.08 4.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.881 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.49 -52.74 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.36 -21.53 66.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.76 0.791 . . . . 0.0 110.366 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' H ' ' A' ' 32' ' ' SER . 27.0 t70 -67.03 -20.81 65.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.837 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.587 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 97.0 t . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 121.124 0.487 . . . . 0.0 111.132 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 121.389 0.614 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.472 HG21 ' SG ' ' A' ' 49' ' ' CYS . 77.4 mt -111.82 120.72 62.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.184 -176.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' HG11 ' A' ' 48' ' ' VAL . 25.9 ttmt -83.91 103.65 13.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.943 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 94.6 mmm -57.98 -26.17 61.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.363 . . . . 0.0 111.707 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.37 -13.79 62.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.814 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -126.1 2.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.512 0.672 . . . . 0.0 109.971 176.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.893 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 37.5 m -127.87 117.96 22.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.818 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.477 ' HB2' HG21 ' A' ' 64' ' ' ILE . 2.0 mp0 -87.35 135.26 33.39 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.414 0.626 . . . . 0.0 110.706 -176.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 53' ' ' VAL . 1.9 tp -98.39 118.85 45.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 25.5 mmmt -85.07 107.75 17.32 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.433 0.635 . . . . 0.0 109.726 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.652 HG22 HG13 ' A' ' 51' ' ' ILE . 63.9 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.697 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.67 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 67.6 p . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -118.86 98.11 6.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.916 0.389 . . . . 0.0 111.202 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.44 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.3 mpp? -134.65 156.6 48.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 52' ' ' LYS . 28.2 tt0 -127.1 136.89 52.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -109.24 121.08 44.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -123.55 118.62 54.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 121.236 0.541 . . . . 0.0 110.918 -179.049 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.893 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -126.01 116.84 23.96 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.794 177.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.607 ' HD2' HD11 ' A' ' 65' ' ' ILE . 31.3 Cg_exo -59.0 113.22 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.959 2.439 . . . . 0.0 112.101 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.58 -59.89 0.68 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.861 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.52 -59.42 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 45.04 -157.32 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.152 0.981 . . . . 0.0 113.188 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 t60 68.7 43.88 1.24 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.521 0.677 . . . . 0.0 110.154 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -117.0 112.09 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.485 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -105.64 142.55 35.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.437 ' HG2' ' HG ' ' A' ' 5' ' ' LEU . 19.9 mtt -121.75 137.85 54.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.117 0.484 . . . . 0.0 111.428 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.681 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 32.2 tttm -140.72 120.63 13.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 169.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.51 -178.23 6.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.747 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.5 t -60.83 -61.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 110.474 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.12 164.4 30.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.659 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.05 -40.94 15.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.58 98.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 0.0 111.684 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.747 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 9.5 mm-40 -60.96 -39.26 88.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.349 0.595 . . . . 0.0 109.761 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.67 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.3 ttp180 -57.75 -44.63 86.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.454 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.533 ' HB2' HH21 ' A' ' 81' ' ' ARG . 27.4 tp60 -61.97 -35.06 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.652 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -65.02 -44.63 88.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.594 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.451 ' HB3' HD11 ' A' ' 88' ' ' LEU . 91.5 m95 -62.88 -39.92 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.204 0.526 . . . . 0.0 110.129 173.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 HD11 ' HG2' ' A' ' 81' ' ' ARG . 4.5 mp -60.88 -32.85 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.82 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 82' ' ' GLN . 56.6 t -65.88 -51.59 59.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.558 0.218 . . . . 0.0 111.074 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.44 -49.16 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.607 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 84' ' ' TRP . 25.1 mt -72.2 -37.02 69.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.049 0.452 . . . . 0.0 110.681 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.17 74.62 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.889 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -57.12 -41.23 78.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.5 t -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.781 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 22.1 ttpt -58.06 -40.55 81.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.023 0.439 . . . . 0.0 111.547 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.585 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.131 -177.83 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.44 145.89 37.57 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.047 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -157.6 149.14 21.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.735 0.302 . . . . 0.0 110.274 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.38 -167.96 35.79 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.46 ' C ' HD23 ' A' ' 5' ' ' LEU . 1.3 m -113.75 160.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 117.636 0.718 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -135.29 158.45 44.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.933 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.709 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -71.39 99.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -98.62 118.28 34.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -69.8 132.21 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.597 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -116.2 -73.03 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.068 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -143.33 161.53 38.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -63.42 -26.26 68.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.832 0.349 . . . . 0.0 111.086 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.78 -41.57 62.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.39 . . . . 0.0 111.462 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -88.59 -24.12 22.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.992 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.2 -116.2 4.27 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.143 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.1 p-90 -111.0 144.95 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.833 0.349 . . . . 0.0 110.169 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -131.56 124.01 19.76 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.94 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.9 130.2 28.5 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.337 2.025 . . . . 0.0 111.524 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -132.82 150.71 52.13 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.424 ' H ' ' HD3' ' A' ' 18' ' ' ARG . 49.2 t-105 -94.21 126.2 39.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.22 0.533 . . . . 0.0 110.503 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CD1' HD22 ' A' ' 5' ' ' LEU . 96.3 m-85 -126.04 148.52 49.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.851 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.403 ' O ' HD21 ' A' ' 27' ' ' LEU . 31.3 m -131.34 135.8 58.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 3.1 tm? -103.12 119.79 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 174.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 107.72 5.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.659 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.5 39.27 30.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.979 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 -3.16 82.1 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.728 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mm -107.57 131.46 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.788 0.328 . . . . 0.0 110.17 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 22' ' ' LEU . 2.1 tm? -108.25 109.87 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -109.79 144.5 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.79 0.328 . . . . 0.0 111.017 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -106.98 140.02 40.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.156 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 71.6 m-85 -138.23 156.23 47.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.146 0.498 . . . . 0.0 110.535 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -75.99 -28.29 57.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.086 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.407 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 40.5 p -158.47 178.39 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -66.28 -31.97 73.09 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.407 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB3' ' H ' ' A' ' 32' ' ' SER . 31.9 t70 -68.68 -19.36 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.599 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 92.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 71.8 mt -110.8 121.18 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.052 0.453 . . . . 0.0 109.937 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -85.5 112.2 20.69 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.014 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 90.6 mmm -66.83 -28.08 68.07 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.359 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.53 59.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.743 0.306 . . . . 0.0 111.526 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.775 HG12 HD13 ' A' ' 65' ' ' ILE . 9.3 p -125.44 4.85 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.622 0.725 . . . . 0.0 110.057 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.779 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 18.7 t -125.39 128.32 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.607 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB2' HG21 ' A' ' 64' ' ' ILE . 8.1 mt-10 -89.31 132.89 34.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.459 0.647 . . . . 0.0 111.314 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.584 HG13 HG22 ' A' ' 53' ' ' VAL . 1.7 tp -97.64 123.02 49.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 168.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 9.5 mmmm -84.99 108.12 17.45 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.841 -171.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.584 HG22 HG13 ' A' ' 51' ' ' ILE . 94.0 t . . . . . 0 N--CA 1.447 -0.602 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.867 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.889 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 19.8 p . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 110.884 -0.043 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.521 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 17.2 ptt180 36.01 99.86 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.653 ' HG3' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -138.69 157.54 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.597 173.266 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -111.02 143.86 41.05 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.996 0.427 . . . . 0.0 111.789 -167.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD12 ' HG ' ' A' ' 49' ' ' CYS . 4.6 mm? -117.1 122.13 43.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.49 174.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -123.67 115.73 46.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.798 0.809 . . . . 0.0 110.791 -178.69 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.779 ' HB ' ' HB2' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -133.09 119.13 15.49 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.141 -177.439 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD2' HD11 ' A' ' 65' ' ' ILE . 39.5 Cg_exo -60.29 108.39 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.206 1.938 . . . . 0.0 111.823 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.24 -66.3 0.51 Allowed Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.993 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -97.9 -63.02 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.431 ' H ' HG22 ' A' ' 65' ' ' ILE . 12.2 pt20 49.22 -168.65 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.462 1.105 . . . . 0.0 113.092 176.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 64.93 27.87 12.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.321 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -93.73 111.49 23.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.405 0.622 . . . . 0.0 110.349 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.61 121.13 44.36 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.472 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 76.5 mtp -121.67 137.07 54.9 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.044 0.45 . . . . 0.0 109.951 -175.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.709 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 40.2 ttmt -132.27 129.46 39.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.23 177.33 6.91 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.261 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.854 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 63.7 t -58.67 -59.09 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -136.99 176.8 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.187 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -51.06 -42.99 60.9 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 83' ' ' ARG . . . -64.33 -41.97 96.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.958 0.408 . . . . 0.0 110.997 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.854 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 22.0 mm-40 -61.43 -39.62 91.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.468 0.652 . . . . 0.0 110.072 176.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.889 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.2 ttp180 -58.54 -44.28 89.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.73 174.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.529 ' O ' HG21 ' A' ' 86' ' ' VAL . 26.3 tp60 -62.27 -32.86 73.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.806 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' ALA . 54.2 mtp180 -63.03 -45.89 90.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.287 0.565 . . . . 0.0 110.726 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.458 ' HB3' HD11 ' A' ' 88' ' ' LEU . 97.0 m95 -67.82 -36.38 80.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' A' ' 61' ' ' MET . 5.9 mp -66.98 -30.24 70.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.797 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 82' ' ' GLN . 55.1 t -64.2 -51.25 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.964 -0.46 . . . . 0.0 111.011 172.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.72 -49.18 41.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 111.337 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 84' ' ' TRP . 30.6 mt -73.29 -39.31 65.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.639 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 85' ' ' LEU . . . -65.25 -29.57 75.61 Favored Glycine 0 CA--C 1.511 -0.201 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.169 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.0 p -60.47 -31.34 70.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.314 0.578 . . . . 0.0 109.495 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -70.68 -36.24 73.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.695 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -68.91 -22.9 64.13 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.085 0.469 . . . . 0.0 110.474 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.461 175.089 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 76.3 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt -140.21 144.58 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.829 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.629 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -148.23 158.43 44.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.915 0.388 . . . . 0.0 111.617 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.27 -167.44 32.9 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.501 ' C ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -115.88 159.39 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.771 0.786 . . . . 0.0 110.932 179.143 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -134.96 154.08 51.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.372 177.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.636 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 2.8 m-85 -72.47 101.56 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.004 174.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 20.4 tptm -102.44 119.77 39.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.846 0.355 . . . . 0.0 110.646 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.427 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 65.7 t-105 -69.39 132.73 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 p -116.28 -72.54 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.76 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -136.11 156.8 48.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -67.19 -22.64 65.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.884 0.373 . . . . 0.0 110.566 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.85 -41.69 64.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -91.26 -24.66 19.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.16 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.75 -124.4 6.49 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.483 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.6 p-90 -101.57 145.7 28.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -131.37 123.89 19.86 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.095 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.86 125.57 13.92 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.451 2.101 . . . . 0.0 111.94 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 8.8 mmt180 -124.36 151.37 44.45 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.072 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -93.79 119.85 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.072 0.463 . . . . 0.0 109.889 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.3 m-85 -117.77 150.4 39.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.706 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.629 HG13 ' HB3' ' A' ' 2' ' ' GLU . 34.2 m -133.45 134.43 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.918 0.39 . . . . 0.0 110.328 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.669 HD23 HD22 ' A' ' 27' ' ' LEU . 2.9 tm? -104.52 119.66 39.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.89 115.81 7.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 54.46 40.83 32.1 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.46 174.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.4 3.73 86.58 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.145 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -113.2 129.96 67.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.339 -0.506 . . . . 0.0 110.575 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.669 HD22 HD23 ' A' ' 22' ' ' LEU . 2.4 tm? -107.2 110.62 22.73 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -109.95 145.22 37.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.327 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -111.25 138.28 47.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.339 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 36' ' ' VAL . 97.0 m-85 -129.1 178.1 6.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.98 -38.53 32.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.344 0.592 . . . . 0.0 110.001 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 36' ' ' VAL . 13.5 p -169.75 -174.5 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.871 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.1 -39.22 94.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.54 -36.64 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.243 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.8 -19.5 60.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.581 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.551 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 92.5 t . . . . . 0 CA--C 1.518 -0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.777 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.72 120.11 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 110.223 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.19 117.23 21.55 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.165 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.491 ' SD ' HD21 ' A' ' 88' ' ' LEU . 1.8 mtp -65.23 -30.24 71.11 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.651 0.262 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.69 -10.21 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.827 HG13 HD11 ' A' ' 65' ' ' ILE . 7.3 p -125.36 0.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 109.913 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.751 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.1 t -130.82 123.81 29.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.146 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HB2' HG21 ' A' ' 64' ' ' ILE . 36.1 mt-10 -87.71 140.44 29.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.398 0.618 . . . . 0.0 110.588 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.685 HG22 ' HB2' ' A' ' 92' ' ' LYS . 2.0 tp -99.78 121.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 171.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 64' ' ' ILE . 21.5 mmtp -84.23 108.81 17.32 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -172.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.58 HG22 HG13 ' A' ' 51' ' ' ILE . 55.2 t . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.364 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' A' ' 74' ' ' LYS . 38.9 p . . . . . 0 CA--C 1.528 0.132 0 N-CA-C 110.939 -0.023 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.48 94.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.5 ' SD ' ' HG2' ' A' ' 81' ' ' ARG . 1.7 mpp? -136.29 148.06 47.79 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.967 0.413 . . . . 0.0 110.597 176.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.2 tt0 -120.27 142.77 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.413 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.49 122.23 46.61 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.661 HG23 ' HE3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -125.26 115.1 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.459 0.647 . . . . 0.0 111.199 -176.696 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.827 HD11 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.12 116.55 18.89 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.662 178.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.665 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.8 Cg_exo -54.02 123.14 12.76 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.345 2.696 . . . . 0.0 113.171 -173.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.98 -54.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -99.8 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 43.92 -154.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.9 t60 69.85 39.76 1.4 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.756 0.789 . . . . 0.0 109.329 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -115.22 112.15 22.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -108.54 134.3 51.5 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.605 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 87.3 mtp -131.23 135.96 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 17.2 ttpp -135.64 126.49 27.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 59' ' ' THR . . . -76.5 178.6 6.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.583 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.736 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.9 t -63.44 -60.91 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.621 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -138.77 171.22 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.08 -40.13 22.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -174.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.88 97.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.054 0.454 . . . . 0.0 111.324 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.736 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 57.1 mm-40 -63.23 -36.33 83.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.615 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.5 ' HG2' ' SD ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -57.28 -41.8 80.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.769 174.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.9 tp60 -67.82 -33.53 74.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.844 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.1 -44.78 95.91 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.307 0.575 . . . . 0.0 110.777 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.561 ' HB3' HD11 ' A' ' 88' ' ' LEU . 91.2 m95 -68.37 -35.52 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.1 mp -61.82 -32.16 72.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.494 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.5 t -63.28 -51.41 71.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.625 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.42 -50.43 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.557 -0.457 . . . . 0.0 112.078 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 84' ' ' TRP . 29.1 mt -72.96 -43.04 62.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.601 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.23 -30.17 73.2 Favored Glycine 0 C--O 1.234 0.147 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.733 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.2 t -57.57 -42.63 83.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 35.8 t -69.71 -33.12 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.901 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.685 ' HB2' HG22 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -66.08 -33.44 75.8 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-O 121.431 0.634 . . . . 0.0 110.402 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.094 -175.574 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 121.351 0.596 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.95 144.55 35.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.883 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.3 153.17 35.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.649 0.262 . . . . 0.0 110.661 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.66 -161.27 33.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.885 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.658 ' CG1' ' HB2' ' A' ' 17' ' ' PRO . 2.2 t -121.46 133.95 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.707 0.289 . . . . 0.0 110.964 -174.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.463 HD23 ' CE2' ' A' ' 84' ' ' TRP . 3.4 mm? -120.49 152.61 37.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.665 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.6 m-85 -71.8 99.04 2.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.457 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -98.76 115.73 29.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.132 0.491 . . . . 0.0 110.046 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -71.63 135.18 46.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.014 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 p -112.53 -85.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.17 176.97 7.93 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -75.34 -32.1 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.508 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.75 -40.9 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 111.396 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.6 p -85.75 -25.35 26.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.748 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.43 -126.75 7.76 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.383 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.661 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.5 p-90 -108.49 148.82 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -130.86 125.93 21.53 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.658 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 91.5 Cg_endo -72.64 99.15 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.026 1.818 . . . . 0.0 111.51 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -90.35 152.79 20.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.736 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -93.63 116.91 29.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' HB2' HD21 ' A' ' 5' ' ' LEU . 89.0 m-85 -111.69 149.3 31.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.23 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' O ' HD23 ' A' ' 27' ' ' LEU . 34.4 m -134.16 135.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.521 176.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.678 HD21 HD22 ' A' ' 27' ' ' LEU . 2.5 tm? -103.75 121.3 42.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -145.42 110.06 5.05 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.403 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.32 52.42 11.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.567 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.24 3.59 76.78 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.525 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -115.58 132.43 65.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 122.411 -0.464 . . . . 0.0 110.585 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.678 HD22 HD21 ' A' ' 22' ' ' LEU . 2.9 tm? -110.82 110.83 21.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 m -110.34 148.64 31.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.84 0.352 . . . . 0.0 110.98 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -115.27 136.0 53.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.6 m-85 -130.68 166.82 19.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.567 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.25 -38.62 75.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.8 m -165.79 -176.24 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' HA ' HG21 ' A' ' 36' ' ' VAL . 36.8 tt0 -64.4 -36.64 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.098 0.408 . . . . 0.0 110.495 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.13 -33.03 71.58 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 110.958 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -78.19 -15.51 58.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.623 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 71.1 t . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.42 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.0 mt -111.12 122.37 65.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 110.485 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -81.12 115.49 20.58 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.641 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.553 ' HB3' ' HG ' ' A' ' 91' ' ' SER . 1.5 mtp -65.29 -28.43 69.32 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.68 -10.55 59.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.797 HG11 HD12 ' A' ' 65' ' ' ILE . 9.9 p -125.39 0.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.594 0.712 . . . . 0.0 109.975 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.703 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -126.79 130.46 50.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.646 -175.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.645 ' HB2' HG22 ' A' ' 64' ' ' ILE . 39.5 mt-10 -88.37 134.31 33.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.17 0.509 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.571 HG13 HG21 ' A' ' 53' ' ' VAL . 2.3 tp -99.11 118.95 46.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 168.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 11.5 mmmm -83.69 106.86 15.74 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.67 0.748 . . . . 0.0 109.72 -170.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.571 HG21 HG13 ' A' ' 51' ' ' ILE . 77.7 t . . . . . 0 C--N 1.318 -0.774 0 CA-C-N 114.321 -1.308 . . . . 0.0 108.741 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.6 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.6 p . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -124.34 97.06 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.579 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.413 ' HG2' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -140.49 149.59 42.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.773 178.49 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 21.3 tt0 -131.43 140.05 49.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.996 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 51' ' ' ILE . 3.6 mm? -109.64 120.76 43.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.688 ' HA ' ' HG3' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -124.84 115.07 43.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.743 0.782 . . . . 0.0 111.325 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.797 HD12 HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -125.76 118.28 24.3 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.096 177.204 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.68 ' HD2' HD13 ' A' ' 65' ' ' ILE . 76.3 Cg_exo -51.71 125.92 18.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.099 2.532 . . . . 0.0 113.068 -174.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.85 -46.48 1.22 Allowed Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.07 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -100.88 -89.31 0.35 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.622 0.248 . . . . 0.0 110.613 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.688 ' HG3' ' HA ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER 56.65 -145.33 0.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.264 177.049 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.643 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 14.3 t-160 61.59 34.16 17.9 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.49 0.716 . . . . 0.0 109.9 -172.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.93 112.05 23.25 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.434 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -110.37 138.48 46.7 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.8 mtt -122.45 137.56 54.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.362 0.601 . . . . 0.0 111.755 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 56.9 tttm -139.73 126.55 20.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 168.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' A' ' 59' ' ' THR . . . -84.55 -177.95 6.75 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.204 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.887 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.4 t -62.15 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.19 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.402 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 32.4 p30 -136.94 172.77 12.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.331 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -45.44 -43.44 11.38 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.12 95.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.958 0.409 . . . . 0.0 111.089 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.887 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 14.0 mm-40 -61.53 -40.34 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.467 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.6 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 25.3 ttp180 -57.67 -42.92 84.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.625 175.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.8 tp60 -64.51 -35.16 80.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.134 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -64.4 -44.84 90.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.558 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.3 m95 -67.14 -37.5 83.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.265 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 HD11 ' O ' ' A' ' 81' ' ' ARG . 4.6 mp -60.59 -33.15 72.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.419 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.6 t -64.09 -51.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.054 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -49.9 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.078 0.466 . . . . 0.0 111.676 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 84' ' ' TRP . 28.4 mt -72.78 -44.16 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.636 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.7 86.29 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.751 -174.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.2 t -64.59 -27.68 69.11 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.553 ' HG ' ' HB3' ' A' ' 46' ' ' MET . 14.1 t -69.85 -42.83 73.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.133 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -60.89 -30.87 70.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.317 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.296 -178.416 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 35.1 t80 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt -137.21 139.9 41.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.879 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -139.96 147.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.498 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.65 -178.88 28.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.486 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -106.38 156.52 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 117.259 0.53 . . . . 0.0 110.486 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.661 ' HG ' ' HE3' ' A' ' 73' ' ' MET . 3.6 mm? -133.92 158.37 43.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.178 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.702 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.45 124.08 23.33 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.304 173.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -119.49 116.57 26.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -70.97 122.68 20.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -103.63 -79.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.914 0.387 . . . . 0.0 110.99 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.41 162.87 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -65.25 -26.85 68.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.596 0.236 . . . . 0.0 111.242 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.48 -41.97 62.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.597 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -86.01 -28.02 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.841 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.75 -86.8 1.51 Allowed Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.525 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.8 p-90 -152.99 154.19 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.612 0.244 . . . . 0.0 110.353 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -131.8 123.44 19.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.381 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.03 114.98 2.68 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.722 2.281 . . . . 0.0 112.093 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 13.0 mmm180 -110.9 154.29 24.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.825 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -94.05 122.43 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.3 147.59 44.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.139 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.24 136.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 HD21 HD22 ' A' ' 27' ' ' LEU . 2.7 tm? -101.98 119.96 39.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -139.9 108.19 5.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 52.12 60.91 3.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.643 173.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.82 -5.36 48.07 Favored Glycine 0 N--CA 1.454 -0.122 0 CA-C-N 116.164 -0.471 . . . . 0.0 113.876 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mm -111.64 133.15 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.961 0.41 . . . . 0.0 110.677 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 22' ' ' LEU . 2.7 tm? -108.69 111.02 22.59 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -107.44 146.16 32.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.841 0.353 . . . . 0.0 110.979 -176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -115.0 135.55 54.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.674 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -130.77 161.28 32.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.743 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.73 -25.61 37.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.651 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 t -160.24 -174.07 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.636 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.58 -48.06 35.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.824 0.345 . . . . 0.0 110.75 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.17 -23.99 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.391 0.615 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.31 -21.59 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.676 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.867 178.594 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.7 120.61 61.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.441 0.639 . . . . 0.0 110.372 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -83.0 108.7 16.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.641 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.63 -27.59 69.34 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.88 -15.58 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.842 HG11 HD12 ' A' ' 65' ' ' ILE . 8.0 p -124.95 1.29 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.139 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.7 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.3 t -126.88 127.69 45.33 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.405 -176.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.649 ' HB2' HG21 ' A' ' 64' ' ' ILE . 27.7 mt-10 -88.41 137.32 32.43 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.499 0.666 . . . . 0.0 111.252 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.609 HG13 HG21 ' A' ' 53' ' ' VAL . 2.3 tp -98.86 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HE2' HG23 ' A' ' 64' ' ' ILE . 31.2 mmtt -84.05 108.34 16.94 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.424 0.631 . . . . 0.0 110.143 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.609 HG21 HG13 ' A' ' 51' ' ' ILE . 87.6 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.173 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.596 ' HB ' ' HG3' ' A' ' 74' ' ' LYS . 72.6 p . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -145.31 97.4 2.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 111.455 -178.14 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.563 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.2 mpp? -140.84 156.35 46.15 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.152 -0.342 . . . . 0.0 110.344 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -134.23 137.92 44.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.322 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.6 mm? -108.38 120.93 43.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.668 HG23 ' HE2' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -122.93 116.01 47.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.485 0.659 . . . . 0.0 110.976 -177.769 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.842 HD12 HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.7 119.2 14.87 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.883 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HD2' HD13 ' A' ' 65' ' ' ILE . 31.6 Cg_exo -59.59 110.77 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.618 2.212 . . . . 0.0 111.927 -179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.95 -62.52 0.6 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -99.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.411 ' H ' HG21 ' A' ' 65' ' ' ILE . 2.7 pt20 47.61 -165.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.438 1.095 . . . . 0.0 112.969 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 65.55 36.69 6.42 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.872 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 85.5 m-85 -103.37 111.68 24.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.646 175.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.468 ' CD1' ' HE2' ' A' ' 6' ' ' TYR . 10.6 t80 -99.11 139.26 35.01 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.661 ' HE3' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -120.2 135.43 54.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -175.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 83.7 tttt -147.54 120.84 8.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.5 -174.92 5.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.325 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.939 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 78.4 t -63.35 -57.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.489 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.0 p30 -142.63 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.167 177.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.02 -43.78 14.67 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.25 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.033 0.444 . . . . 0.0 111.201 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.939 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 7.5 mm-40 -61.37 -38.81 88.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.287 176.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.59 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.1 ttp180 -57.64 -41.23 80.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.787 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.503 ' O ' HG22 ' A' ' 86' ' ' VAL . 28.9 tp60 -65.17 -34.52 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 69.2 mtt180 -67.67 -43.83 79.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 111.306 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.515 ' CE2' HD21 ' A' ' 5' ' ' LEU . 95.2 m95 -67.21 -34.84 78.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 109.975 174.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 81' ' ' ARG . 4.8 mp -60.87 -33.21 72.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.624 175.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 82' ' ' GLN . 57.7 t -64.97 -51.79 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.229 176.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.6 -50.75 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.978 0.418 . . . . 0.0 111.766 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 84' ' ' TRP . 26.8 mt -74.96 -45.38 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.161 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.55 84.59 Favored Glycine 0 C--O 1.233 0.08 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.266 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 p -67.32 -25.53 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 110.45 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.1 t -67.22 -38.39 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.107 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -68.11 -29.32 68.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.848 0.356 . . . . 0.0 111.04 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -178.308 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.448 -0.569 0 CA-C-O 121.045 0.45 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.11 137.58 34.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -148.66 151.45 34.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.644 0.259 . . . . 0.0 110.694 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.12 -176.62 36.8 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.501 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.73 152.15 9.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 117.576 0.688 . . . . 0.0 110.23 179.543 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.603 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -132.06 157.97 42.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.691 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -75.17 98.51 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.18 176.185 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 18.0 tptm -98.51 116.71 31.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.03 0.443 . . . . 0.0 110.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.44 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 46.8 t-105 -64.88 124.33 21.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.471 173.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -108.15 -73.03 0.7 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -134.31 161.56 34.63 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -66.48 -23.83 66.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.94 -41.66 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.227 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -90.36 -25.73 20.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.748 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.9 -91.42 1.5 Allowed Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.691 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.7 p-90 -136.56 151.86 49.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.776 0.322 . . . . 0.0 110.391 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -131.35 123.39 19.56 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.365 174.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.41 95.72 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.51 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.3 tpp180 -108.27 160.46 15.83 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -93.36 124.41 37.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 -171.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 80.4 m-85 -121.12 148.2 44.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.672 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' HE1' ' A' ' 30' ' ' TYR . 29.6 m -136.02 138.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.744 HD22 HD21 ' A' ' 27' ' ' LEU . 1.1 tm? -102.04 120.56 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -136.19 107.98 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.406 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 52.72 46.63 26.36 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.038 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.92 -1.76 86.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.125 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.19 128.2 70.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 122.42 -0.459 . . . . 0.0 110.389 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.744 HD21 HD22 ' A' ' 22' ' ' LEU . 3.1 tm? -100.78 110.46 22.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.7 m -111.9 139.76 47.11 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.687 -175.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 33.0 p90 -107.59 138.95 42.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.618 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 90.1 m-85 -128.35 164.73 22.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.775 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.51 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 22.4 t70 -70.86 -36.71 72.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.214 0.531 . . . . 0.0 110.086 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 22.7 t -153.71 -175.07 5.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.786 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -72.75 -40.58 65.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.838 0.352 . . . . 0.0 110.289 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.67 -27.34 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.418 0.628 . . . . 0.0 110.76 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.409 ' HB3' ' H ' ' A' ' 32' ' ' SER . 37.4 t70 -68.32 -20.72 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.645 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.618 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 99.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.76 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.23 122.26 65.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.321 0.582 . . . . 0.0 110.747 -175.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -81.09 115.6 20.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.404 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.6 ' SD ' HD21 ' A' ' 88' ' ' LEU . 1.4 mtp -65.12 -30.92 71.89 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 111.19 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.14 -10.27 48.46 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.923 HG12 HD13 ' A' ' 65' ' ' ILE . 9.8 p -125.87 2.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.701 0.762 . . . . 0.0 110.159 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.584 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.5 t -124.54 129.77 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.511 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.68 129.46 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.963 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.637 HG13 HG22 ' A' ' 53' ' ' VAL . 1.9 tp -98.41 115.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 170.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -85.35 107.52 17.39 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.921 -0.711 . . . . 0.0 109.431 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 51' ' ' ILE . 78.9 t . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.304 -175.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.722 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 30.2 p . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -96.36 106.65 18.91 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.857 -0.527 . . . . 0.0 110.899 -173.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.609 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 0.3 OUTLIER -142.71 148.66 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.8 141.58 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.539 0.209 . . . . 0.0 110.589 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.421 HD11 ' SG ' ' A' ' 49' ' ' CYS . 4.5 mm? -113.96 121.37 43.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.73 116.04 46.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.503 0.668 . . . . 0.0 111.129 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.923 HD13 HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.82 116.09 16.96 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 114.847 -1.07 . . . . 0.0 108.955 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.576 ' HD2' HD11 ' A' ' 65' ' ' ILE . 50.9 Cg_exo -54.29 116.65 3.21 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.073 2.516 . . . . 0.0 112.669 -176.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.24 -60.83 0.58 Allowed Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.324 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.62 -68.53 0.8 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 13.7 pt20 46.73 -165.44 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.458 1.103 . . . . 0.0 113.736 172.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.1 t60 67.63 32.93 5.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.981 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -100.8 112.87 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.924 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -94.08 140.52 29.64 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.609 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 1.3 tpt -121.52 137.08 54.88 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 35.3 tttp -153.24 122.66 6.69 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.25 7.85 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.481 -177.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 66.4 t -56.57 -55.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.092 0.472 . . . . 0.0 110.772 -179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.444 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -140.38 174.01 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.263 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -53.29 -40.71 64.94 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.64 96.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.461 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 50.7 mm-40 -62.72 -34.37 77.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.705 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.722 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -57.05 -42.49 80.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.717 172.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.502 ' O ' HG22 ' A' ' 86' ' ' VAL . 26.6 tp60 -62.63 -33.82 75.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 -177.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.19 -45.79 86.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.185 0.516 . . . . 0.0 110.474 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.621 ' HB3' HD13 ' A' ' 88' ' ' LEU . 96.1 m95 -67.33 -36.01 80.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.036 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.486 HD12 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -61.45 -32.19 72.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.604 177.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 82' ' ' GLN . 53.8 t -64.13 -51.76 64.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.994 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.79 21.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.107 0.48 . . . . 0.0 111.803 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 84' ' ' TRP . 28.5 mt -72.2 -43.64 64.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.51 -29.71 75.9 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.425 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.8 t -60.74 -32.27 71.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.3 t -70.34 -38.44 74.87 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.442 176.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.589 ' HD2' ' O ' ' A' ' 51' ' ' ILE . 20.7 tttp -63.7 -22.13 66.74 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.776 176.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt -140.02 140.06 36.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.137 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.23 155.36 49.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.808 0.337 . . . . 0.0 110.599 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.12 29.63 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.469 ' C ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.6 159.62 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.119 0.46 . . . . 0.0 110.398 179.041 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.469 HD21 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -135.07 152.63 51.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.494 -0.775 . . . . 0.0 108.955 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.691 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.53 119.83 15.27 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 170.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -110.47 118.74 37.07 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.517 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -73.07 105.46 4.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -83.75 -75.04 0.35 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.095 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -142.17 158.59 43.56 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -67.14 -20.08 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.109 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.2 -40.55 64.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.024 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p -84.89 -44.77 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.14 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.41 -123.92 8.08 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.864 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.65 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -104.77 133.88 48.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 -178.574 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -131.0 124.32 20.51 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.05 129.78 14.61 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.496 2.131 . . . . 0.0 112.279 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 31.0 mmt180 -131.18 159.9 36.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.248 176.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -94.38 126.59 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 110.47 -173.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 94.9 m-85 -127.54 145.92 50.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.754 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.4 m -135.81 138.07 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.763 0.316 . . . . 0.0 110.471 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD23 HD21 ' A' ' 27' ' ' LEU . 2.5 tm? -101.84 120.06 39.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -138.61 110.52 7.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.627 0.727 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.31 56.64 6.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.124 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 3.87 59.36 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.609 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -114.64 129.51 70.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 122.385 -0.48 . . . . 0.0 110.16 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD21 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.12 108.61 20.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.3 p -108.84 147.97 31.3 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.765 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 13.2 p90 -118.59 141.08 48.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.344 -177.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' A' ' 36' ' ' VAL . 84.3 m-85 -128.57 169.98 13.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.362 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -76.62 -38.79 54.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.004 0.43 . . . . 0.0 110.46 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.2 m -150.74 -177.83 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.693 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.21 -48.13 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.178 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.66 -26.34 65.46 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.527 0.68 . . . . 0.0 111.291 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.16 -14.34 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.858 -176.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.483 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 78.0 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 178.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.982 0.42 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -112.93 120.72 63.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HG2' HG11 ' A' ' 48' ' ' VAL . 27.7 ttmt -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.448 ' SD ' HD21 ' A' ' 88' ' ' LEU . 1.7 mtp -64.67 -31.08 72.14 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.941 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.43 -13.78 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.872 HG13 HD12 ' A' ' 65' ' ' ILE . 9.7 p -125.03 0.69 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.463 0.649 . . . . 0.0 110.236 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.778 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.9 t -129.25 124.5 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.3 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.556 ' HB2' HG21 ' A' ' 64' ' ' ILE . 44.9 mt-10 -88.05 134.54 33.72 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.074 0.464 . . . . 0.0 110.524 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.582 HG13 HG22 ' A' ' 53' ' ' VAL . 2.2 tp -98.67 119.26 46.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HG3' ' OE1' ' A' ' 62' ' ' GLU . 4.8 mmmm -85.42 107.48 17.41 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.606 0.717 . . . . 0.0 110.057 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 HG13 ' A' ' 51' ' ' ILE . 98.5 t . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.673 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.589 HG21 ' HB1' ' A' ' 75' ' ' ALA . 21.7 p . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -163.43 98.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.528 . . . . 0.0 111.599 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.585 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.7 mpp? -135.16 151.51 50.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.5 tt0 -123.23 136.17 54.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.574 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.39 120.13 41.52 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.556 HG21 ' HB2' ' A' ' 50' ' ' GLU . 1.1 tp -122.49 115.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.605 0.717 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.872 HD12 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -132.7 119.57 16.15 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.825 -1.079 . . . . 0.0 108.798 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.673 ' HD2' HD13 ' A' ' 65' ' ' ILE . 51.0 Cg_exo -54.16 135.63 65.14 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.823 2.349 . . . . 0.0 112.63 -178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.72 -44.37 1.95 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.292 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.8 mt-10 -107.95 -74.39 0.66 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.476 ' H ' HG22 ' A' ' 65' ' ' ILE . 2.4 pt20 46.38 -158.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.368 1.067 . . . . 0.0 112.645 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 68.4 29.07 5.93 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.909 0.861 . . . . 0.0 109.804 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -107.55 110.52 22.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.282 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -111.43 143.5 42.16 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 mtt -121.97 136.99 54.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 111.41 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.691 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 16.1 ttpp -136.96 119.23 15.62 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.589 ' HB1' HG21 ' A' ' 59' ' ' THR . . . -76.84 -174.84 3.22 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.683 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.663 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 58.8 t -62.76 -61.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.975 0.417 . . . . 0.0 109.984 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.417 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.2 p-10 -140.44 167.73 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.746 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.33 -41.42 28.32 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.7 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.489 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.663 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 56.1 mm-40 -64.09 -36.22 83.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.585 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 5.3 ttp180 -57.24 -41.02 78.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.002 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.489 ' O ' HG22 ' A' ' 86' ' ' VAL . 58.2 tp60 -63.08 -33.36 75.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.648 -177.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -63.88 -45.81 87.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.35 0.595 . . . . 0.0 110.188 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.586 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.8 m95 -67.52 -35.62 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.235 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.507 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -61.67 -33.19 73.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.24 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 82' ' ' GLN . 54.9 t -63.05 -51.12 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.971 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.74 18.57 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.586 HD12 ' HB3' ' A' ' 84' ' ' TRP . 35.8 mt -72.27 -43.43 64.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.677 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.48 -29.05 65.82 Favored Glycine 0 C--N 1.329 0.15 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.174 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -55.77 -40.55 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.947 0.403 . . . . 0.0 110.477 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.404 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 33.3 t -70.22 -44.12 69.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.054 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -57.92 -39.04 77.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.289 0.566 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.855 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.546 179.554 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 87.4 t80 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.799 0.333 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt -135.19 140.67 45.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.128 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.24 150.85 45.98 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.106 0.254 . . . . 0.0 110.486 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.47 -163.59 29.96 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.424 HG11 ' CE3' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -121.82 160.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.259 0.529 . . . . 0.0 110.358 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.486 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -132.46 154.56 49.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.625 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.69 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -66.09 119.38 11.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.101 172.469 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -114.28 116.57 29.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.698 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -75.86 124.86 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -109.88 -72.96 0.7 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -142.37 160.54 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -69.57 -19.92 63.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.751 0.31 . . . . 0.0 110.865 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.28 -41.36 63.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -87.26 -33.28 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.607 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.79 -104.17 3.11 Favored Glycine 0 N--CA 1.441 -1.012 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.309 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.493 ' HB2' ' CD2' ' A' ' 6' ' ' TYR . 8.2 p-90 -136.61 150.04 48.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 87.4 mt-30 -130.72 122.61 19.7 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 36.8 Cg_endo -66.25 108.34 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.575 2.183 . . . . 0.0 111.688 173.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.1 tpm_? -106.93 154.04 21.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CE3' HG11 ' A' ' 4' ' ' VAL . 51.9 t-105 -94.0 131.96 38.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.042 0.448 . . . . 0.0 110.455 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.94 143.22 50.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.982 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.27 135.93 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.477 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.535 HD22 HD22 ' A' ' 27' ' ' LEU . 3.0 tm? -102.21 120.21 40.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.04 107.05 8.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.676 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 47.24 62.23 2.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 173.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 81.61 -7.81 60.84 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.133 -0.556 . . . . 0.0 114.403 176.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -117.14 132.16 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 118.088 0.944 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD22 HD22 ' A' ' 22' ' ' LEU . 3.3 tm? -107.49 110.93 22.98 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -107.53 148.57 29.06 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.985 -0.447 . . . . 0.0 111.153 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -121.55 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.986 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 95.8 m-85 -142.87 177.44 8.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.762 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.93 -39.13 51.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 111.218 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.452 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 6.0 p -157.3 -176.2 5.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -174.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -63.36 -51.38 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.589 -176.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.71 -27.94 67.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.264 0.554 . . . . 0.0 110.738 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.2 t70 -71.86 -6.3 40.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.129 -176.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.536 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 53.8 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.117 0.484 . . . . 0.0 111.004 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 121.54 0.686 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.2 mt -113.01 120.22 62.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.012 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.587 ' HB3' HG11 ' A' ' 48' ' ' VAL . 80.4 tttt -82.92 106.67 14.94 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.524 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 95.2 mmm -62.6 -26.87 68.82 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 120.903 0.382 . . . . 0.0 111.854 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.434 ' HB3' ' HE2' ' A' ' 45' ' ' LYS . . . -76.48 -8.77 57.87 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.846 HG13 HD13 ' A' ' 65' ' ' ILE . 6.8 p -124.97 2.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.707 0.765 . . . . 0.0 109.633 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.785 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -132.08 118.83 20.16 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.747 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -85.93 137.15 32.95 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.471 0.653 . . . . 0.0 110.686 -175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.571 HD13 ' HB3' ' A' ' 61' ' ' MET . 1.4 tp -98.04 118.55 44.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.627 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -83.99 108.39 16.93 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.457 0.646 . . . . 0.0 109.41 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.566 HG22 HG13 ' A' ' 51' ' ' ILE . 71.7 t . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.613 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 20.8 p . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -124.46 101.16 7.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.627 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.783 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.2 mpp? -140.31 147.32 39.72 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.42 132.47 51.49 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.902 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.0 119.38 38.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.627 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -123.17 114.95 44.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -178.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.846 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -122.16 110.93 32.43 Favored Pre-proline 0 N--CA 1.443 -0.798 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' HD11 ' A' ' 65' ' ' ILE . 46.3 Cg_exo -55.86 112.18 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.576 2.851 . . . . 0.0 113.043 -171.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.15 -64.77 0.6 Allowed Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.425 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 31.9 mt-10 -95.2 -58.34 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 10.1 pt20 43.91 -150.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.041 0.838 . . . . 0.0 112.8 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 73.98 36.36 0.71 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.661 0.743 . . . . 0.0 110.244 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -117.84 111.74 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.865 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.445 ' HD2' ' HE1' ' A' ' 6' ' ' TYR . 62.8 t80 -111.16 143.05 42.52 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.486 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 31.7 mtt -121.47 136.48 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.619 0.723 . . . . 0.0 111.527 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.69 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 71.1 tttt -142.43 120.69 12.27 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 171.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.476 ' HB1' HG23 ' A' ' 59' ' ' THR . . . -80.99 179.05 8.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.009 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.585 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 95.4 t -57.05 -56.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.852 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.43 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.0 p-10 -143.58 166.08 25.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.362 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.98 -41.64 25.79 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.226 0.329 . . . . 0.0 111.879 -173.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 82' ' ' GLN . . . -61.27 -43.02 99.56 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.013 0.435 . . . . 0.0 111.779 176.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.585 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 35.5 mm-40 -63.0 -32.25 73.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.783 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 25.5 ttt180 -57.92 -40.3 80.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.857 173.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.0 tp60 -61.66 -35.55 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.875 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -61.48 -46.25 90.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.794 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . 0.523 ' HB3' HD12 ' A' ' 88' ' ' LEU . 97.0 m95 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.106 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.498 HD12 ' HG2' ' A' ' 81' ' ' ARG . 4.8 mp -62.56 -32.16 73.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.511 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.3 t -63.42 -51.3 72.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.676 176.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.53 15.59 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.885 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.2 mt -73.33 -39.61 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.905 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.4 77.43 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 121.306 -0.474 . . . . 0.0 112.593 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 m -61.52 -36.55 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.192 0.52 . . . . 0.0 109.834 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.8 t -69.46 -43.38 73.38 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.6 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' A' ' 51' ' ' ILE . 14.6 tttm -64.24 -37.43 87.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.805 179.726 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.173 -0.371 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.777 ' HB2' ' HG2' ' A' ' -1' ' ' GLU . 50.5 Cg_endo -70.33 121.45 8.02 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.545 2.163 . . . . 0.0 112.032 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -133.05 104.72 6.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.572 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 81.19 -58.46 4.84 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.175 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.0 t -62.33 140.78 96.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 C-N-CA 122.749 0.42 . . . . 0.0 110.279 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.79 127.76 22.18 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.163 2.576 . . . . 0.0 112.585 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.777 ' HG2' ' HB2' ' A' ' -6' ' ' PRO . 4.6 mt-10 -81.44 69.2 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.942 -175.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -125.95 137.67 53.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.215 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt -139.97 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.631 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.51 150.11 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.593 0.235 . . . . 0.0 110.452 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.0 -156.63 27.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.741 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.502 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.2 m -123.94 162.3 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 117.132 0.466 . . . . 0.0 110.623 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.6 mm? -136.47 154.0 50.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.533 176.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.689 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -70.43 125.51 26.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.887 171.259 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -122.4 123.8 42.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.07 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -73.27 132.34 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.116 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 p -116.6 -71.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -145.84 164.12 32.92 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -70.0 -27.68 64.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.642 0.258 . . . . 0.0 111.061 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.55 -41.7 65.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -83.08 -28.84 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.216 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.55 -105.23 2.9 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.823 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.689 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 6.2 p-90 -132.23 144.98 51.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -131.14 122.87 19.43 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.559 0.219 . . . . 0.0 110.531 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.56 130.6 22.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.499 2.132 . . . . 0.0 111.781 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -126.21 154.77 42.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -92.94 129.14 38.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.142 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 29' ' ' TYR . 97.7 m-85 -132.56 141.51 48.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -133.0 137.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD22 HD22 ' A' ' 27' ' ' LEU . 3.2 tm? -102.72 118.67 37.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -147.8 133.17 18.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 59.47 28.23 17.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.598 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.52 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 83.47 7.0 87.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -116.64 135.27 57.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD22 HD22 ' A' ' 22' ' ' LEU . 3.0 tm? -106.7 109.19 21.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 p -108.81 148.87 29.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.076 0.465 . . . . 0.0 111.506 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.47 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 34.0 p90 -115.55 143.14 45.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.669 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 87.2 m-85 -136.86 164.44 28.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.781 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.46 -37.17 63.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.239 0.542 . . . . 0.0 110.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.428 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 74.5 m -158.88 179.68 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.769 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -65.04 -44.78 87.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.951 0.405 . . . . 0.0 110.687 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.29 -33.37 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.533 . . . . 0.0 110.897 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 35.3 t70 -68.07 -24.62 65.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.921 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.598 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 72.1 t -60.48 -39.67 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.293 0.568 . . . . 0.0 110.548 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.4 m -71.73 -22.9 61.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.549 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 35.1 mmtt -70.09 -23.98 63.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.305 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.98 127.89 4.8 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.2 p -58.26 132.69 54.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.117 0.484 . . . . 0.0 112.118 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -92.24 -21.83 20.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.886 175.422 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.3 158.02 29.12 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m -151.5 162.58 40.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.979 0.389 . . . . 0.0 110.759 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.19 119.75 60.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.519 ' O ' HG11 ' A' ' 48' ' ' VAL . 76.8 tttt -86.35 95.38 9.63 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.727 -174.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.737 ' O ' HD23 ' A' ' 95' ' ' LEU . 94.9 mmm -54.28 -33.4 58.55 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.81 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.22 -10.78 45.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.712 HG13 HD11 ' A' ' 65' ' ' ILE . 5.9 p -125.16 -0.95 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.406 0.622 . . . . 0.0 110.118 176.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.934 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 34.7 m -120.6 132.51 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.693 ' HB2' HG22 ' A' ' 64' ' ' ILE . 34.6 mt-10 -89.53 131.11 35.72 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.397 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.553 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -98.27 115.11 37.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.45 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.3 mmmt -85.34 108.32 17.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.319 0.58 . . . . 0.0 110.001 -170.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 51' ' ' ILE . 70.2 t -133.7 120.52 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.352 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.428 ' HB3' ' H ' ' A' ' 55' ' ' SER . 41.5 t-80 -105.51 -89.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.15 -176.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.428 ' H ' ' HB3' ' A' ' 54' ' ' HIS . 10.2 m -141.88 -53.49 0.44 Allowed 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.309 -0.156 . . . . 0.0 111.353 -175.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 115.57 1.91 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.064 0.459 . . . . 0.0 111.792 -174.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.624 ' HA ' ' CZ ' ' A' ' 81' ' ' ARG . 39.6 m-20 -77.22 95.93 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.159 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.764 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 25.4 t-20 -164.38 168.74 18.24 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.582 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p -60.81 -8.89 3.38 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -163.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -93.65 114.96 27.39 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -167.179 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.428 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.6 mpp? -134.81 156.48 48.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 175.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -126.7 138.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 122.363 -0.211 . . . . 0.0 110.965 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -113.23 121.77 45.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 109.905 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.693 HG22 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -126.16 116.6 46.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.391 0.615 . . . . 0.0 111.137 -179.137 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.934 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.66 114.31 24.99 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.516 177.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.618 ' HD2' HD12 ' A' ' 65' ' ' ILE . 42.5 Cg_exo -56.32 112.97 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.961 2.441 . . . . 0.0 112.968 -171.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.92 -57.35 0.69 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.64 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 33.8 mt-10 -97.06 -69.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 8.9 pt20 48.77 -162.7 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 168.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.5 37.79 5.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -103.81 112.21 25.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.276 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.444 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 18.1 t80 -104.25 128.64 52.02 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.522 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 90.2 mtp -121.53 136.79 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 109.962 -177.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.636 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 36.6 ttmt -143.36 124.17 14.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.046 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.21 -178.83 7.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.629 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.723 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.4 t -61.17 -58.98 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.441 ' C ' HG21 ' A' ' 59' ' ' THR . 31.6 p30 -137.74 174.14 10.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.149 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 58' ' ' ASN . . . -53.96 -37.3 63.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.367 . . . . 0.0 111.429 -177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.87 83.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.674 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.723 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 23.1 mm-40 -60.68 -40.19 91.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.416 0.627 . . . . 0.0 110.106 175.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.624 ' CZ ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -57.93 -38.48 76.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.6 175.025 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 86' ' ' VAL . 55.3 tp60 -64.58 -34.22 77.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.56 -45.27 94.85 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.476 0.655 . . . . 0.0 110.015 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.532 ' HB3' HD11 ' A' ' 88' ' ' LEU . 96.6 m95 -66.18 -38.2 87.45 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.353 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 mp -62.89 -32.13 73.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.049 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 82' ' ' GLN . 45.7 t -62.19 -51.35 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.73 19.18 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 112.163 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 84' ' ' TRP . 40.0 mt -74.37 -44.82 50.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.288 -175.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.86 -31.27 80.22 Favored Glycine 0 CA--C 1.512 -0.128 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.863 -173.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 t -66.7 -28.75 68.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 109.79 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -69.86 -42.11 73.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.014 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HB2' HG23 ' A' ' 51' ' ' ILE . 18.3 ttpt -56.88 -46.0 82.14 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.036 0.446 . . . . 0.0 111.574 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.41 100.71 0.87 Allowed 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.8 m 67.85 65.71 0.37 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.602 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 47' ' ' ALA . 15.2 tp -96.88 158.38 15.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.264 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 p -79.47 164.57 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -173.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 67.19 179.52 0.22 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.702 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.01 112.74 9.32 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.915 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.768 ' HD2' ' HB3' ' A' ' 95' ' ' LEU . 58.3 mtp180 -107.13 166.09 10.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.321 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.249 1.043 0 O-C-N 124.283 0.989 . . . . 0.0 112.311 179.737 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.61 93.24 0.14 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.34 2.693 . . . . 0.0 112.925 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' -5' ' ' LEU . 3.8 mm? -120.15 111.63 18.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.551 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 84.3 -58.56 4.99 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.76 -0.734 . . . . 0.0 111.65 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 21.8 t -66.84 129.05 94.08 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.61 127.38 16.12 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.386 2.724 . . . . 0.0 112.895 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -72.9 84.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.879 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -126.83 128.45 46.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.752 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt -139.65 138.24 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.148 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 162.67 32.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.78 0.324 . . . . 0.0 110.767 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.11 -175.49 23.91 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.485 HG13 ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -115.37 158.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 117.097 0.449 . . . . 0.0 110.163 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.8 mm? -130.12 145.3 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.872 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.673 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 1.4 t80 -62.06 124.06 19.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.386 171.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -124.8 117.38 24.01 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.882 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -75.97 125.81 29.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -109.63 -77.43 0.6 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.511 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -132.13 159.25 39.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -66.67 -21.72 66.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.0 -41.36 64.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 p -89.24 -28.97 19.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.556 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -109.19 3.36 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.405 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 3.7 p-90 -124.76 150.48 46.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -131.36 121.73 18.62 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.44 106.0 1.16 Allowed 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.357 2.038 . . . . 0.0 111.527 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.716 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.4 tpm_? -106.73 151.3 25.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.485 ' CE3' HG13 ' A' ' 4' ' ' VAL . 42.8 t-105 -95.01 133.5 38.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.92 0.391 . . . . 0.0 110.366 -174.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.473 ' CD1' HD23 ' A' ' 5' ' ' LEU . 94.7 m-85 -132.65 149.26 52.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.007 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.429 HG21 ' HB2' ' A' ' 28' ' ' SER . 24.3 m -133.21 135.39 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 27' ' ' LEU . 1.8 tm? -103.99 118.55 36.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.2 131.64 15.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.667 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 59.71 38.67 21.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.222 0.534 . . . . 0.0 111.432 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 71.71 10.97 72.68 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.776 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.39 132.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.548 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.644 HD21 HD21 ' A' ' 22' ' ' LEU . 2.6 tm? -104.76 110.85 23.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.429 ' HB2' HG21 ' A' ' 21' ' ' VAL . 15.2 m -106.3 136.72 45.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.683 0.278 . . . . 0.0 110.803 -172.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -106.55 135.53 47.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 82.2 m-85 -144.63 171.8 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 18' ' ' ARG . 3.8 t70 -73.22 -37.7 66.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.722 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.452 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 15.2 p -165.61 -174.51 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.509 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 35.6 t70 -69.96 -32.96 71.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.837 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HB3' ' H ' ' A' ' 32' ' ' SER . 35.3 t70 -67.26 -16.64 64.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.878 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.524 ' HA ' ' CG ' ' A' ' 30' ' ' TYR . 76.6 t -57.15 -36.01 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.273 0.559 . . . . 0.0 110.81 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.7 t -86.93 -30.5 21.29 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.916 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 19.0 mmtt -88.34 -37.93 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.72 -131.29 1.31 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 115.207 0.843 . . . . 0.0 115.207 -163.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 p -99.14 127.64 45.14 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -165.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.625 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.02 13.74 26.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.934 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 43' ' ' SER . . . -62.15 -47.33 90.55 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 175.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.424 ' HG ' ' C ' ' A' ' 42' ' ' GLY . 80.5 p 54.43 -177.15 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.117 0.967 . . . . 0.0 113.085 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.16 120.43 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.417 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' HG2' HG11 ' A' ' 48' ' ' VAL . 29.7 ttmt -78.03 116.03 18.21 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.334 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.597 ' SD ' HD22 ' A' ' 88' ' ' LEU . 1.1 mtp -65.58 -30.89 71.68 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 120.619 0.247 . . . . 0.0 111.117 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HA ' HD13 ' A' ' 95' ' ' LEU . . . -66.38 -13.16 60.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.872 HG13 HD12 ' A' ' 65' ' ' ILE . 9.9 p -125.59 2.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.656 0.741 . . . . 0.0 110.21 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.669 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.4 t -129.43 125.19 35.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.404 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.556 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.0 mm-40 -88.27 133.65 34.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.318 0.58 . . . . 0.0 110.728 -178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.653 HG13 HG22 ' A' ' 53' ' ' VAL . 2.2 tp -99.43 118.92 46.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.629 ' HE3' HG22 ' A' ' 64' ' ' ILE . 15.6 mmtp -84.2 110.32 18.44 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.653 HG22 HG13 ' A' ' 51' ' ' ILE . 54.5 t -126.58 147.75 31.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.937 -172.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 71.45 40.45 0.82 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.483 0.713 . . . . 0.0 110.405 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.62 -72.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.392 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.54 -77.19 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.728 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.656 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 6.2 m-20 -70.39 160.94 31.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.836 174.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.667 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 47.2 m-80 -95.71 179.99 4.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.289 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.764 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 14.8 p 69.45 -7.3 0.86 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.331 1.452 . . . . 0.0 112.268 -173.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.667 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 51.6 mtp180 -110.45 121.05 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -167.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.63 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 2.3 mpp? -140.97 153.39 45.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 174.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -125.17 138.61 54.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.456 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.631 HD13 ' HG ' ' A' ' 49' ' ' CYS . 4.4 mm? -111.51 121.26 44.72 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.629 HG22 ' HE3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -123.25 115.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.375 0.607 . . . . 0.0 111.018 -178.031 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.872 HD12 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.73 115.81 18.12 Favored Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.437 -178.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 65' ' ' ILE . 36.0 Cg_exo -57.75 117.6 4.33 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.959 2.439 . . . . 0.0 112.529 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.7 -60.27 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.608 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -108.08 -55.96 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 13.8 pt20 45.56 -163.29 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.193 0.997 . . . . 0.0 113.61 173.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 t60 68.82 51.22 0.59 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.619 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.71 111.46 17.2 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -102.79 138.97 38.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.465 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 77.4 mtp -135.97 135.8 39.86 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.673 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 54.2 tttm -136.82 125.49 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.62 168.32 16.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.201 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.783 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.0 t -55.42 -57.27 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.007 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.642 ' C ' HG21 ' A' ' 59' ' ' THR . 35.8 p30 -137.34 -179.02 5.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.225 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -58.49 -41.43 85.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 -175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.77 97.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.522 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.783 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.3 mm-40 -60.9 -39.84 90.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.877 175.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.764 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.1 ttt180 -59.33 -44.99 92.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.83 174.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.546 ' O ' HG21 ' A' ' 86' ' ' VAL . 24.2 tp60 -60.5 -35.72 76.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.176 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -61.77 -46.66 88.63 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.319 0.581 . . . . 0.0 110.631 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.573 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -68.79 -35.6 77.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.466 HD12 ' HG2' ' A' ' 81' ' ' ARG . 4.9 mp -62.53 -31.78 72.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 176.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 82' ' ' GLN . 51.9 t -63.51 -51.48 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.572 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.0 -49.9 22.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.597 HD22 ' SD ' ' A' ' 46' ' ' MET . 34.1 mt -73.67 -40.73 63.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.849 -177.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.93 91.45 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 113.205 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.8 p -63.94 -28.45 69.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.072 0.463 . . . . 0.0 110.06 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.634 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 46.6 m -69.28 -47.24 65.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.588 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -34.9 78.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.225 0.536 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.0 99.55 3.33 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.091 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 m 70.37 45.63 0.63 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.593 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.959 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 26.4 tp -74.56 -178.86 3.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.569 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.604 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 2.2 p -66.23 -174.89 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.518 0.675 . . . . 0.0 112.524 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.93 174.7 1.79 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.894 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.1 p 56.7 52.14 10.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.54 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.959 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 38.4 mtm180 -98.83 112.79 24.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.985 174.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.253 1.261 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.177 -177.554 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.463 ' CB ' ' HG2' ' A' ' -1' ' ' GLU . 22.8 Cg_exo -64.83 156.9 59.33 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.576 2.184 . . . . 0.0 111.445 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.82 99.89 11.68 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.01 -90.53 1.29 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.309 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.742 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 29.6 t -152.16 -44.78 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 119.617 -0.23 . . . . 0.0 111.389 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.742 ' HD2' ' H ' ' A' ' -3' ' ' SER . 27.8 Cg_endo -64.43 90.06 0.17 Allowed 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.706 1.604 . . . . 0.0 111.792 172.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.463 ' HG2' ' CB ' ' A' ' -6' ' ' PRO . 13.6 mt-10 -78.81 83.63 4.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.749 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . 0.543 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 89.0 t80 -118.79 131.85 56.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.033 0.445 . . . . 0.0 111.036 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -141.03 142.23 34.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.845 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -137.29 156.93 47.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.675 0.274 . . . . 0.0 110.813 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.09 -173.6 31.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.678 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.494 ' C ' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.44 157.3 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.279 0.539 . . . . 0.0 110.21 178.257 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.494 HD21 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -133.75 151.36 51.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.67 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m-85 -70.06 100.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.242 175.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -98.91 116.44 31.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -67.94 133.97 50.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.525 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -119.02 -63.42 1.4 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.001 0.429 . . . . 0.0 110.732 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.79 162.34 41.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -75.33 -17.59 60.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.645 0.259 . . . . 0.0 111.493 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.38 -40.97 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.15 0.5 . . . . 0.0 110.065 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 p -87.96 -29.67 20.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.473 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.42 -98.49 2.18 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 13.6 p-90 -131.27 149.93 52.36 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -131.16 123.32 19.69 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.239 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.5 115.49 3.56 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.511 2.141 . . . . 0.0 111.876 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -115.66 152.8 32.48 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.969 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CE3' HG13 ' A' ' 4' ' ' VAL . 55.6 t-105 -94.11 124.48 38.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.118 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 92.8 m-85 -122.35 146.09 47.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.894 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.21 136.14 55.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.186 0.517 . . . . 0.0 110.54 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 2.9 tm? -102.19 120.03 39.79 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -135.95 107.78 7.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.611 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 53.63 46.06 26.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.471 172.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 -5.65 80.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.287 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.49 130.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 122.181 -0.599 . . . . 0.0 110.569 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.524 HD23 HD21 ' A' ' 22' ' ' LEU . 3.0 tm? -107.44 110.24 22.15 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -114.1 148.96 36.27 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.13 -175.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 45.3 p90 -118.04 149.6 40.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -132.95 173.46 11.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.91 -39.78 69.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.935 0.398 . . . . 0.0 110.727 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.7 m -155.29 -177.64 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.875 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.21 -43.19 95.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.089 0.471 . . . . 0.0 110.28 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -28.33 69.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.3 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.726 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 36.4 t70 -69.69 -15.87 63.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.125 -174.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -59.9 -37.27 71.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.93 -22.11 61.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.874 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.726 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 13.4 mmtm -71.07 -12.88 61.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.681 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.13 131.82 7.16 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.302 -0.952 . . . . 0.0 111.517 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 m -56.71 134.93 55.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.92 0.39 . . . . 0.0 111.747 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -103.88 -23.2 13.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.323 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.7 137.79 4.96 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.362 -176.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.5 m -134.3 155.63 49.87 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -111.33 121.98 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.759 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -79.79 111.66 16.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.976 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.41 ' HE2' ' HB ' ' A' ' 51' ' ' ILE . 93.0 mmm -64.42 -26.5 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.855 0.36 . . . . 0.0 110.983 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.568 ' HA ' HD21 ' A' ' 95' ' ' LEU . . . -69.74 -11.97 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.646 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.902 HG12 HD13 ' A' ' 65' ' ' ILE . 9.2 p -125.51 2.07 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.658 0.742 . . . . 0.0 110.061 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.574 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 42.5 t -124.14 132.81 53.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.424 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.668 ' HB2' HG21 ' A' ' 64' ' ' ILE . 26.3 mt-10 -88.95 129.6 35.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.997 0.427 . . . . 0.0 110.019 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.661 HG13 HG23 ' A' ' 53' ' ' VAL . 2.4 tp -99.13 115.0 38.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -85.85 109.64 18.84 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -172.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.661 HG23 HG13 ' A' ' 51' ' ' ILE . 49.4 t -124.63 113.6 36.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -173.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -130.96 141.21 50.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.377 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 p -88.95 101.65 14.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.749 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.81 -73.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.807 ' HB3' ' HG3' ' A' ' 60' ' ' ARG . 8.2 t70 -87.62 177.86 6.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.962 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -69.81 -82.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.763 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 24.2 p -111.21 81.58 1.46 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.109 0.563 . . . . 0.0 111.162 -171.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.807 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 17.2 mmm180 -135.26 103.65 5.6 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -171.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.749 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -143.38 143.21 31.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 122.247 -0.283 . . . . 0.0 110.761 174.095 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -120.64 138.53 53.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.5 mm? -108.05 120.8 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.668 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -126.84 115.7 42.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.417 0.627 . . . . 0.0 111.219 -178.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.902 HD13 HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.64 116.41 18.31 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.887 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.582 ' HD2' HD11 ' A' ' 65' ' ' ILE . 50.0 Cg_exo -53.32 115.26 2.18 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.042 2.495 . . . . 0.0 112.681 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.83 -58.67 0.65 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 30.3 mt-10 -100.44 -68.56 0.81 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 12.9 pt20 48.98 -168.47 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 168.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 63.32 39.57 9.34 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 94.0 m-85 -101.94 111.39 23.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.776 176.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -95.06 140.59 29.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.438 ' HG2' ' HG ' ' A' ' 5' ' ' LEU . 33.8 mtt -123.0 136.5 54.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.164 0.507 . . . . 0.0 110.698 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.67 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -133.84 121.51 21.89 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 81' ' ' ARG . . . -79.58 174.68 11.33 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.696 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.31 -65.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.244 0.545 . . . . 0.0 109.928 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.424 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 87.9 m-20 -118.14 162.45 18.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.331 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.19 64.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.054 0.454 . . . . 0.0 109.83 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.3 96.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 38.6 mm-40 -67.05 -33.17 74.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.763 ' HD2' ' HA ' ' A' ' 59' ' ' THR . 45.5 ttt180 -62.92 -41.89 99.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.172 173.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.532 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.1 tp60 -58.24 -34.78 70.82 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -62.21 -43.86 97.87 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.535 ' HB3' HD13 ' A' ' 88' ' ' LEU . 96.6 m95 -67.93 -36.94 81.01 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.154 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.2 mp -63.59 -32.24 73.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.604 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.1 t -63.55 -51.06 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.672 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.23 -50.15 23.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.193 0.52 . . . . 0.0 111.95 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.535 HD13 ' HB3' ' A' ' 84' ' ' TRP . 30.6 mt -74.59 -40.59 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.917 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.15 89.27 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.22 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -62.65 -26.77 68.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.142 0.496 . . . . 0.0 110.119 176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.576 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 27.8 t -69.37 -47.92 62.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.064 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -60.97 -41.16 95.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.906 0.384 . . . . 0.0 110.978 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.85 103.45 3.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.213 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m 63.47 72.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.471 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.804 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 12.8 tp -115.53 -161.1 0.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.096 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.68 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -66.1 178.95 1.01 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.324 0.583 . . . . 0.0 112.189 177.053 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.62 174.68 1.28 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.527 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.2 p 52.89 73.67 0.34 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.297 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.804 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 52.2 mtm180 -128.63 133.78 48.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.34 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.253 1.278 0 CA-C-O 118.398 -0.81 . . . . 0.0 110.933 179.32 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 90' ' ' SER . 42.4 Cg_exo -58.74 136.96 77.33 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.061 2.507 . . . . 0.0 111.844 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 44.8 tp -93.61 104.41 16.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.529 -175.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 84.91 -72.69 2.75 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.439 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.687 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 22.4 m -153.09 -53.08 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.687 ' HD2' ' H ' ' A' ' -3' ' ' SER . 12.1 Cg_endo -55.0 98.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.677 2.251 . . . . 0.0 113.24 -176.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.03 71.09 3.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.435 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 86.0 t80 -125.96 139.13 53.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.64 -177.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt -139.86 143.59 36.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.986 177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -135.81 153.63 51.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.207 0.317 . . . . 0.0 110.349 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.82 -164.29 27.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.753 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.473 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -124.31 161.38 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.991 0.395 . . . . 0.0 110.467 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.785 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -136.1 160.03 39.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.037 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.721 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -70.44 118.86 13.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.918 171.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -113.99 116.25 28.91 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -65.19 124.89 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -110.66 -70.16 0.83 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.818 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -142.84 162.63 34.96 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -71.23 -24.6 62.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.755 0.312 . . . . 0.0 110.961 -176.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.56 -41.25 63.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.221 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -84.48 -33.63 23.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.832 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.07 -97.29 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.721 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -122.97 135.14 54.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.828 0.347 . . . . 0.0 110.645 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -132.46 123.66 18.67 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.076 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.88 124.78 12.73 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.721 2.281 . . . . 0.0 112.217 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.43 155.76 34.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.958 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -93.68 124.46 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.36 0.413 . . . . 0.0 110.008 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 97.4 m-85 -125.69 144.02 50.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.42 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.428 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 3.1 tm? -102.0 121.22 41.75 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 175.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -137.79 107.29 6.16 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 t30 52.96 58.02 5.75 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.0 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.16 -7.71 66.36 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.892 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -114.86 131.05 68.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 117.579 0.689 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD21 HD21 ' A' ' 22' ' ' LEU . 2.9 tm? -104.09 115.66 30.83 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -107.39 142.62 36.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.74 0.305 . . . . 0.0 110.821 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -118.85 137.42 53.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.484 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.58 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 95.7 m-85 -137.32 171.03 15.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.442 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.18 -39.68 60.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.978 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -154.0 -178.4 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.468 -175.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.65 -53.93 39.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.91 -25.93 68.37 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.276 0.56 . . . . 0.0 111.111 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 36.5 t70 -66.84 -21.08 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.943 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 30' ' ' TYR . 89.9 t -66.74 -39.64 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.286 0.565 . . . . 0.0 110.98 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.3 t -71.47 -23.9 61.9 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.494 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 26.5 mmtt -67.02 -47.27 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.363 0.601 . . . . 0.0 111.249 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.68 143.94 3.85 Favored Glycine 0 N--CA 1.434 -1.496 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -170.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.58 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 1.5 t -71.12 161.6 30.84 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.651 0.739 . . . . 0.0 111.3 -177.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 4.1 mptt -111.41 -8.71 14.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.621 175.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.9 165.15 12.27 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.611 -172.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -141.67 161.1 38.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 117.435 0.618 . . . . 0.0 110.275 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.94 120.13 60.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.454 0.645 . . . . 0.0 109.349 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -83.04 110.87 18.35 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.303 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.603 ' O ' HD22 ' A' ' 95' ' ' LEU . 95.4 mmm -63.31 -27.5 69.37 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.669 ' HA ' HD12 ' A' ' 95' ' ' LEU . . . -68.43 -15.17 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.833 HG13 HD11 ' A' ' 65' ' ' ILE . 6.4 p -125.33 1.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.759 0.79 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.806 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.8 t -135.84 118.88 16.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.803 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HB3' ' HE3' ' A' ' 52' ' ' LYS . 7.7 mt-10 -87.06 143.1 27.47 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.554 0.692 . . . . 0.0 111.14 -177.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.666 HD11 ' HB3' ' A' ' 61' ' ' MET . 2.2 tp -97.53 115.07 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 167.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.47 ' HE3' ' HB3' ' A' ' 50' ' ' GLU . 7.9 mmpt? -84.22 108.21 16.97 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -172.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.626 HG22 HG13 ' A' ' 51' ' ' ILE . 56.0 t -120.87 112.82 37.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.998 -173.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -144.65 104.7 4.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.414 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -66.1 117.82 8.96 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.164 0.507 . . . . 0.0 111.043 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.61 -62.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.775 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 4.0 m-20 -93.1 178.7 5.66 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -106.91 147.83 29.33 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.26 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 45.6 p 51.3 45.26 28.18 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.872 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.53 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -128.8 98.31 4.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.026 0.441 . . . . 0.0 111.896 -174.049 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.666 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.8 mpp? -134.62 156.12 49.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -131.12 137.51 49.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.7 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD23 HD12 ' A' ' 51' ' ' ILE . 3.3 mm? -110.21 121.16 44.62 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 1.2 tp -126.25 116.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.513 0.673 . . . . 0.0 111.381 -177.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.833 HD11 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -128.52 115.9 19.68 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.74 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.499 ' HD2' HD12 ' A' ' 65' ' ' ILE . 45.0 Cg_exo -56.7 111.86 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.914 2.409 . . . . 0.0 112.322 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 -62.66 0.62 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.721 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.457 ' C ' ' HG3' ' A' ' 69' ' ' GLN . 23.1 mt-10 -101.94 -59.81 1.64 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.451 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.457 ' HG3' ' C ' ' A' ' 68' ' ' GLU . 4.5 pp0? 45.21 -161.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 175.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.2 t60 66.41 38.96 4.13 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.737 0.78 . . . . 0.0 109.499 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.7 112.29 23.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.288 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.402 ' HH ' ' HA ' ' A' ' 60' ' ' ARG . 56.3 t80 -103.54 146.57 28.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.785 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -120.41 136.57 54.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.527 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.701 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 23.0 ttmm -152.29 123.02 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.93 -174.47 4.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.215 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.811 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 52.8 t -65.52 -61.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.63 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -136.37 174.73 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.384 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.83 -45.04 29.44 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.21 99.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.082 0.468 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.811 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 36.2 mm-40 -63.23 -38.63 91.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.542 0.687 . . . . 0.0 109.941 175.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.617 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.1 tmm_? -59.95 -40.14 87.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.086 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 tp60 -66.97 -33.8 76.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 0.0 111.02 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.573 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.3 m95 -69.37 -35.13 75.52 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.411 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.1 mp -60.63 -32.85 71.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.25 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.1 t -63.38 -51.89 65.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.14 176.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.72 -50.28 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 112.031 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.4 mt -72.93 -33.7 66.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.512 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.56 -31.43 74.73 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.898 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.539 ' HB2' ' HD3' ' A' ' -6' ' ' PRO . 36.4 t -57.05 -36.43 70.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 110.008 174.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.561 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 28.3 m -70.55 -49.89 43.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.489 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -37.51 87.76 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.773 0.321 . . . . 0.0 111.667 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.44 106.49 4.56 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.357 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.0 m 63.09 49.75 3.3 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.622 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.995 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 22.3 tp -79.34 -176.84 5.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.606 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -71.49 -169.92 0.47 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.563 0.696 . . . . 0.0 112.594 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.43 178.34 0.22 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.724 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.1 p 54.2 63.72 2.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.371 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.995 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 64.9 mtm180 -121.69 167.15 13.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.477 176.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.692 176.758 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . 0.408 ' HA2' ' HD3' ' A' ' -6' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.805 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 83.4 Cg_endo -89.74 85.59 0.45 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.825 2.35 . . . . 0.0 112.643 -175.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.79 91.03 5.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.313 0.578 . . . . 0.0 109.941 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 90.09 -60.94 3.38 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 45.0 m -82.46 122.28 78.78 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.37 142.21 77.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 111.869 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.805 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 4.2 mm-40 -72.59 130.33 40.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.445 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -103.06 127.68 50.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt -138.7 137.16 36.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.16 145.96 42.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.23 -169.17 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.466 ' C ' HD21 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -117.75 157.97 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.303 0.551 . . . . 0.0 110.27 179.036 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD21 ' C ' ' A' ' 4' ' ' VAL . 3.6 mm? -132.06 151.02 52.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.308 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.689 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 4.2 t80 -61.43 115.93 4.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 172.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -117.65 124.0 47.51 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.17 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -73.28 142.11 47.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.95 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 p -125.0 -78.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -136.85 156.88 47.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -67.7 -23.49 65.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.45 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.2 -40.01 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 0.0 110.99 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -88.59 -29.19 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.794 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -111.47 3.71 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.459 ' CZ3' ' HA ' ' A' ' 6' ' ' TYR . 6.8 p-90 -127.75 149.27 50.31 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -131.74 125.01 20.19 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.878 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.81 116.82 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.367 2.044 . . . . 0.0 111.134 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.618 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.6 mmp_? -107.56 151.63 25.35 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -93.25 117.52 30.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 89.0 m-85 -114.76 144.19 43.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.004 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -133.38 135.33 56.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.15 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.634 HD21 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -103.47 119.66 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.52 112.29 5.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.422 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.41 44.94 23.61 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.664 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.76 -1.53 88.62 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.95 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.53 129.05 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD23 HD21 ' A' ' 22' ' ' LEU . 2.7 tm? -106.31 110.51 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -107.73 148.24 29.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.004 -173.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 23.2 p90 -122.23 133.78 54.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.703 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 40' ' ' SER . 58.3 m-85 -134.65 165.38 25.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.135 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.7 -36.73 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -158.03 -177.27 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -71.76 -39.41 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.122 0.487 . . . . 0.0 110.042 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.96 -25.19 63.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.23 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -89.31 -14.0 36.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.417 -173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 30' ' ' TYR . 59.7 t -64.39 -46.73 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.004 0.43 . . . . 0.0 111.408 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.03 -20.16 65.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.208 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -67.68 -29.17 68.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.053 0.454 . . . . 0.0 111.319 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.3 117.76 4.32 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.298 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.523 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 4.4 p -81.86 137.43 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.234 0.54 . . . . 0.0 111.632 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.541 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -95.6 -19.72 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.739 175.308 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.97 126.63 6.67 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m -149.03 165.45 31.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.956 0.378 . . . . 0.0 110.603 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.13 121.25 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.231 0.539 . . . . 0.0 110.296 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.662 ' HG2' HG13 ' A' ' 48' ' ' VAL . 18.4 ttmt -86.18 111.59 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.434 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.658 ' O ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -58.41 -35.18 71.66 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.547 -178.156 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.768 ' HA ' HD12 ' A' ' 95' ' ' LEU . . . -68.66 -9.57 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.671 HG12 HD13 ' A' ' 65' ' ' ILE . 9.5 p -125.26 -3.87 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.24 0.543 . . . . 0.0 110.647 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.873 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 47.6 m -117.45 134.66 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.902 0.382 . . . . 0.0 110.454 -176.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' CB ' HG23 ' A' ' 64' ' ' ILE . 2.4 mm-40 -88.72 124.19 33.87 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.651 HG13 HG21 ' A' ' 53' ' ' VAL . 1.8 tp -98.9 114.34 36.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.0 mmmt -84.47 108.78 17.45 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.589 -169.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.651 HG21 HG13 ' A' ' 51' ' ' ILE . 55.5 t -128.3 116.06 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.259 -173.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -95.74 -9.41 31.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.559 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.5 m 73.85 -12.86 0.81 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.96 -26.51 9.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.903 0.382 . . . . 0.0 111.607 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.99 146.42 49.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.719 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -76.56 117.91 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.738 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.86 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p 53.13 -136.59 1.35 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.236 0.614 . . . . 0.0 110.503 -174.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 48.72 95.53 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.426 ' HB3' HD12 ' A' ' 51' ' ' ILE . 2.2 mpp? -133.78 140.72 47.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.779 173.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -113.59 139.32 49.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.108 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.491 HD23 HD13 ' A' ' 51' ' ' ILE . 4.0 mm? -109.03 121.5 45.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 109.739 175.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.498 HG23 ' CB ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -122.86 116.58 49.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.873 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.8 119.31 24.18 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.989 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.678 ' HD2' HD11 ' A' ' 65' ' ' ILE . 50.1 Cg_exo -54.41 122.82 12.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.999 2.466 . . . . 0.0 112.658 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.65 -50.35 0.78 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.177 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -107.67 -65.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.404 -0.118 . . . . 0.0 110.837 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.439 ' H ' HG22 ' A' ' 65' ' ' ILE . 28.1 pt20 47.18 -163.26 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.249 1.02 . . . . 0.0 113.389 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 68.58 52.92 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.734 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -125.96 112.86 16.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -103.78 135.45 45.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.712 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.45 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.8 mtp -130.61 137.27 49.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.092 0.472 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.689 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 58.0 tttm -138.36 121.88 17.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.95 169.31 18.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.072 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.72 -54.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 123.553 0.533 . . . . 0.0 111.001 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -143.04 168.44 19.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.142 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.622 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -50.98 -40.9 58.98 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.48 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.958 0.409 . . . . 0.0 111.872 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -63.33 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.453 0.644 . . . . 0.0 110.908 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.86 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -56.74 -38.14 71.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.036 172.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.52 ' O ' HG21 ' A' ' 86' ' ' VAL . 27.2 tp60 -67.76 -34.36 76.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.503 -176.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -64.47 -45.24 88.27 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 110.39 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.563 ' HB3' HD12 ' A' ' 88' ' ' LEU . 90.6 m95 -66.63 -36.26 82.15 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.155 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.521 HD21 ' HD2' ' A' ' 81' ' ' ARG . 3.1 mp -62.68 -32.23 73.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.748 177.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -64.19 -51.31 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.707 176.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -49.65 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 84' ' ' TRP . 30.0 mt -74.34 -44.64 51.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.292 0.568 . . . . 0.0 111.954 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.94 -29.99 73.92 Favored Glycine 0 N--CA 1.453 -0.18 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.153 -173.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -64.33 -26.92 68.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.908 0.385 . . . . 0.0 110.409 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 23.2 t -70.16 -49.41 50.8 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.753 174.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.6 -36.74 67.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 111.904 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.18 103.33 0.61 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.883 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 p 52.17 61.12 3.37 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.525 -175.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 47' ' ' ALA . 18.7 tp -86.64 163.18 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.016 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.7 p -82.27 170.74 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 t70 66.84 -174.94 0.19 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.072 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 27.5 p -74.82 74.1 2.1 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.432 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -54.87 111.73 0.89 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.288 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.694 -176.141 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . 0.557 ' HA3' ' HB3' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.468 ' HD2' ' OG ' ' A' ' 90' ' ' SER . 45.5 Cg_exo -56.65 119.96 7.53 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.966 2.444 . . . . 0.0 112.694 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' -5' ' ' LEU . 55.9 mt -131.14 79.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.67 176.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 96.0 -41.86 2.36 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -174.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.6 p -55.45 149.45 28.57 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 114.534 -0.833 . . . . 0.0 111.216 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.12 104.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.105 2.537 . . . . 0.0 112.566 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.464 ' HG3' ' HG2' ' A' ' -6' ' ' PRO . 39.3 tt0 -81.75 70.48 8.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.859 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -126.42 129.49 48.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.786 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt -140.23 136.75 33.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 159.38 39.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.98 -170.82 30.73 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.459 ' C ' HD21 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -117.87 153.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 117.148 0.474 . . . . 0.0 110.365 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.6 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -130.44 150.21 51.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -70.66 103.13 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.163 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -98.25 116.67 30.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.807 0.337 . . . . 0.0 110.248 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -70.45 131.93 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.625 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -115.75 -65.27 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.068 0.461 . . . . 0.0 111.401 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -148.82 168.46 22.92 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -76.5 -27.04 55.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.578 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.66 -39.32 64.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.11 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 p -87.91 -26.93 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.756 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.26 -119.34 4.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 19.8 p-90 -120.98 157.51 29.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -129.79 123.19 20.94 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.699 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.42 94.94 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 111.673 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 30.9 mmt180 -102.44 155.95 17.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.195 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.418 ' CE3' HG11 ' A' ' 4' ' ' VAL . 49.4 t-105 -94.47 124.34 38.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.567 -171.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 88.2 m-85 -121.84 147.52 45.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.594 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG22 ' HE1' ' A' ' 30' ' ' TYR . 35.3 m -136.36 136.89 48.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.741 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.611 HD22 HD22 ' A' ' 27' ' ' LEU . 2.5 tm? -101.98 120.26 40.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 173.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -145.23 108.41 4.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.15 61.08 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.49 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.85 -8.02 12.84 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.888 -0.596 . . . . 0.0 114.2 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.95 132.5 60.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 117.769 0.785 . . . . 0.0 111.053 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD22 HD22 ' A' ' 22' ' ' LEU . 2.8 tm? -103.95 110.1 22.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -108.38 146.9 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.898 0.38 . . . . 0.0 111.249 -174.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -117.09 138.57 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.554 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 84.3 m-85 -128.02 167.88 16.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.26 -37.83 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.232 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 p -151.98 -179.18 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.995 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.62 -37.8 80.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.464 ' OD2' ' HE2' ' A' ' 38' ' ' LYS . 18.6 t70 -64.02 -34.85 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 32.1 t70 -65.35 -21.34 66.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.662 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.554 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 88.5 t -64.24 -38.76 83.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.7 t -73.86 -24.25 59.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.576 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HE2' ' OD2' ' A' ' 34' ' ' ASP . 44.8 mmtt -70.92 -52.56 19.29 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.363 0.601 . . . . 0.0 110.49 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.41 125.02 3.31 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.927 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 p -78.91 144.49 34.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.18 0.514 . . . . 0.0 111.304 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.7 mptt -93.66 -9.6 37.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.426 0.632 . . . . 0.0 109.359 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.14 128.84 5.39 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.637 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.1 m -139.83 165.03 28.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.4 mt -110.9 120.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.442 0.639 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -81.07 112.73 18.71 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.322 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.492 ' HB3' ' HG ' ' A' ' 91' ' ' SER . 1.7 mtp -62.25 -33.57 74.87 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.001 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.41 60.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.967 HG12 HD13 ' A' ' 65' ' ' ILE . 9.5 p -124.69 -7.76 6.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.409 0.623 . . . . 0.0 110.383 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.78 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.8 t -117.23 122.45 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.999 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.535 ' OE2' ' HG2' ' A' ' 99' ' ' ARG . 38.8 mt-10 -88.04 135.03 33.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.169 0.509 . . . . 0.0 110.352 -175.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.687 HG13 HG22 ' A' ' 53' ' ' VAL . 2.0 tp -99.04 118.35 45.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.634 ' HE3' HG23 ' A' ' 64' ' ' ILE . 19.3 mmtp -84.06 108.55 17.06 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.13 0.49 . . . . 0.0 109.832 -172.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 51' ' ' ILE . 77.2 t -133.7 113.78 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.533 -176.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -110.36 149.72 29.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 171.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -74.32 59.92 0.81 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -170.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.08 114.58 13.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 170.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.5 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 29.2 t70 -87.76 106.26 17.94 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -166.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -173.95 157.21 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 174.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.769 ' HA ' ' HG3' ' A' ' 81' ' ' ARG . 36.4 p -64.31 82.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -167.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -160.77 106.67 1.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.09 0.471 . . . . 0.0 111.904 175.523 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.733 ' SD ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mpp? -139.06 156.36 47.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.844 173.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -127.7 134.3 49.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.466 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.455 HD23 HD11 ' A' ' 51' ' ' ILE . 3.6 mm? -106.97 121.05 43.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.634 HG23 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -125.18 116.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-O 121.342 0.591 . . . . 0.0 111.473 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.967 HD13 HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.52 117.41 18.65 Favored Pre-proline 0 N--CA 1.449 -0.503 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.024 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.669 ' HD2' HD11 ' A' ' 65' ' ' ILE . 58.8 Cg_exo -53.49 119.67 6.57 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.113 2.542 . . . . 0.0 113.079 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.1 -46.48 1.21 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.118 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.91 -78.53 0.4 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.847 ' H ' HG21 ' A' ' 65' ' ' ILE . 20.9 pt20 43.06 -156.85 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.669 1.188 . . . . 0.0 112.91 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.0 t60 71.92 27.74 2.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 109.887 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -112.35 111.72 22.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.233 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -109.21 135.14 50.81 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.6 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.2 mtp -127.23 136.43 52.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.18 0.514 . . . . 0.0 110.334 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.69 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 80.7 tttt -138.51 123.62 19.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.9 177.77 8.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.231 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.77 -59.11 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 110.597 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -136.97 169.93 16.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.652 177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.86 49.43 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.332 0.395 . . . . 0.0 111.647 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.4 92.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.965 0.412 . . . . 0.0 111.584 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.46 -39.17 89.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.696 0.76 . . . . 0.0 110.522 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.769 ' HG3' ' HA ' ' A' ' 59' ' ' THR . 2.2 tmt_? -63.92 -40.25 96.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.043 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 86' ' ' VAL . 22.3 tp60 -61.35 -34.68 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.51 -44.16 91.78 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.999 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.473 ' HB3' HD12 ' A' ' 88' ' ' LEU . 94.4 m95 -64.9 -35.72 82.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.166 0.508 . . . . 0.0 110.07 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.477 HD11 ' HD3' ' A' ' 81' ' ' ARG . 3.0 mp -62.83 -32.67 73.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.732 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -63.06 -51.01 77.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.635 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.33 -49.78 25.57 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.512 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.1 mt -73.52 -40.02 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.46 . . . . 0.0 112.006 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -35.61 92.3 Favored Glycine 0 C--O 1.234 0.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 113.499 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.557 ' HB3' ' HA3' ' A' ' -7' ' ' GLY . 22.6 p -64.94 -33.08 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.4 . . . . 0.0 110.643 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.492 ' HG ' ' HB3' ' A' ' 46' ' ' MET . 11.9 t -68.92 -43.09 75.89 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.968 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.819 ' HZ2' ' HB3' ' A' ' 92' ' ' LYS . 1.1 ttpm? -55.89 -39.09 71.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.299 0.639 . . . . 0.0 112.387 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.25 117.4 5.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.811 -172.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.1 p 53.77 37.16 25.67 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.278 1.031 . . . . 0.0 112.664 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.474 ' O ' ' HD3' ' A' ' 99' ' ' ARG . 34.1 tp -103.41 155.94 18.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.059 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.424 HG23 ' HG ' ' A' ' 95' ' ' LEU . 24.9 p 56.64 172.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 174.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -125.22 156.38 38.58 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.402 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.3 p 46.55 66.28 1.01 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.508 0.671 . . . . 0.0 111.152 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.535 ' HG2' ' OE2' ' A' ' 50' ' ' GLU . 29.0 mtm180 -84.01 131.4 34.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.534 -174.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.504 -0.76 . . . . 0.0 111.306 -174.383 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.619 -0.593 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.627 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 8.1 Cg_exo -72.04 156.03 56.46 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.721 2.281 . . . . 0.0 111.553 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 4.8 tt -88.11 91.82 8.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.85 -71.25 2.91 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.006 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.727 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 33.8 t -148.99 -52.05 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.223 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.727 ' HD2' ' H ' ' A' ' -3' ' ' SER . 19.4 Cg_endo -59.71 112.18 1.19 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 C-N-CA 121.957 1.771 . . . . 0.0 112.957 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 0.0 OUTLIER -131.93 128.64 38.94 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 175.743 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -126.29 119.76 28.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.447 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -131.97 138.74 48.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.879 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -144.48 150.13 37.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.26 -172.29 34.69 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.52 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.0 155.56 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.432 0.616 . . . . 0.0 110.458 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.655 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.5 160.14 39.39 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.869 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -73.61 117.15 15.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.284 0.564 . . . . 0.0 110.258 172.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -112.52 115.97 29.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.287 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.8 128.16 35.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.094 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 p -113.96 -62.98 1.52 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -158.28 159.12 35.63 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -75.18 -16.05 60.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.155 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.64 -41.46 62.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.42 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -83.75 -40.24 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.327 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.29 -108.48 3.62 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.869 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.9 p-90 -127.65 150.93 49.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -131.09 122.46 19.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.539 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.99 115.56 4.32 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.456 2.104 . . . . 0.0 111.398 171.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 29.7 mmt180 -118.38 159.05 24.11 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.448 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -93.99 117.68 30.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 82.3 m-85 -115.92 144.0 44.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.953 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.36 137.07 53.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.288 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.636 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -102.21 120.72 40.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.44 110.09 6.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.214 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.2 t30 50.45 53.24 13.27 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.314 171.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.59 -3.63 81.79 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.176 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -112.1 131.35 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.016 0.436 . . . . 0.0 110.414 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.636 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.67 110.5 22.7 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 p -116.74 135.44 53.76 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.136 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 49.9 p90 -104.43 148.51 26.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.411 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.739 ' HE1' ' H ' ' A' ' 40' ' ' SER . 95.5 m-85 -136.74 170.03 16.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.08 -40.14 68.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.011 0.434 . . . . 0.0 110.257 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -161.98 -176.09 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.809 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -64.05 -39.7 94.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 110.17 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.97 -32.84 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.377 0.608 . . . . 0.0 111.554 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 38.5 t70 -78.22 -16.57 57.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.287 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 30' ' ' TYR . 99.5 t -67.83 -39.88 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.183 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.1 t -68.26 -22.2 64.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.39 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 29.4 mmtm -71.42 -57.24 4.62 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.323 0.582 . . . . 0.0 109.755 175.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.51 110.22 3.22 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.739 ' H ' ' HE1' ' A' ' 30' ' ' TYR . 72.5 m -78.62 135.36 37.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -87.89 12.72 12.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.509 0.671 . . . . 0.0 109.813 176.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.58 84.64 0.34 Allowed Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.403 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p -106.72 164.77 11.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.739 0.304 . . . . 0.0 110.784 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.92 120.66 62.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.957 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -81.14 112.81 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.952 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.638 ' O ' HD21 ' A' ' 95' ' ' LEU . 92.5 mmm -64.21 -27.12 68.84 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.446 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.936 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.25 -16.13 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.032 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 65' ' ' ILE . 9.9 p -125.55 0.59 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.618 0.723 . . . . 0.0 110.271 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.606 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.9 t -122.23 133.11 54.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.068 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' OE1' ' HG3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -88.37 146.98 24.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.723 0.773 . . . . 0.0 110.229 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.652 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -119.09 114.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.289 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.857 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.3 mmpt? -85.18 108.68 17.83 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.913 -170.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 51' ' ' ILE . 38.5 t -134.02 147.89 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.415 -171.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.9 t60 77.45 -44.44 0.44 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.712 0.805 . . . . 0.0 112.071 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.2 m -72.31 -29.8 64.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.818 0.342 . . . . 0.0 111.593 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.97 168.28 12.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.501 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -75.72 173.87 10.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.831 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.638 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 78.9 m-20 -65.05 146.24 55.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.768 ' H ' ' HD2' ' A' ' 81' ' ' ARG . 17.2 p 66.52 -3.37 0.87 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.351 1.46 . . . . 0.0 112.181 -173.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 58' ' ' ASN . 8.8 mmm180 -107.58 118.57 37.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.978 0.418 . . . . 0.0 111.301 -170.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.574 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.9 mpp? -138.36 156.53 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.93 138.04 50.67 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.407 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.26 120.63 42.35 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -123.06 114.54 42.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.491 0.662 . . . . 0.0 110.853 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.889 HD11 HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -124.96 115.89 26.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.623 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.9 Cg_exo -53.32 119.48 6.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.269 2.646 . . . . 0.0 112.872 -174.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.28 -53.03 0.62 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.936 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.12 -71.23 0.69 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.458 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.7 pt20 45.41 -161.46 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.512 1.125 . . . . 0.0 113.704 174.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 68.56 38.6 2.29 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.091 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -111.45 111.9 23.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.487 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -102.86 143.02 33.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.655 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -121.07 136.53 54.96 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.077 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.645 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 47.5 tttp -147.18 122.23 10.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.17 0.51 . . . . 0.0 110.438 172.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 173.83 8.91 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.929 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.691 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 75.5 t -55.76 -57.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.46 0.475 . . . . 0.0 111.033 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.605 ' C ' HG22 ' A' ' 59' ' ' THR . 31.8 p30 -139.81 179.31 6.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.153 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -57.44 -39.17 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 110.992 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.43 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.422 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.691 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 28.8 mm-40 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.302 0.573 . . . . 0.0 110.58 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.768 ' HD2' ' H ' ' A' ' 59' ' ' THR . 23.8 ttt180 -57.63 -45.19 85.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.906 174.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.7 tp60 -61.84 -33.12 73.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.795 -176.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.11 -45.09 93.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.594 ' HB3' HD11 ' A' ' 88' ' ' LEU . 96.6 m95 -69.05 -34.96 76.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.084 0.469 . . . . 0.0 110.46 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.593 ' HG ' HG11 ' A' ' 53' ' ' VAL . 5.7 mp -60.86 -32.37 71.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.153 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.8 t -65.58 -52.08 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.106 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.86 -50.31 24.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.268 0.556 . . . . 0.0 111.825 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 84' ' ' TRP . 27.8 mt -74.42 -41.97 59.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.655 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.95 -32.04 76.5 Favored Glycine 0 N--CA 1.454 -0.161 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.048 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.0 p -67.84 -26.18 65.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -69.61 -34.16 73.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.09 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HG3' ' OE1' ' A' ' 50' ' ' GLU . 12.1 ttpp -64.21 -22.3 66.89 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.549 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.89 96.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.494 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.2 m 61.25 42.59 11.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.063 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.936 HD11 ' HA ' ' A' ' 47' ' ' ALA . 50.4 tp -64.55 157.11 27.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.964 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.99 147.93 41.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.196 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 t0 66.16 176.78 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.058 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.4 p -78.46 121.4 24.5 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.762 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.36 172.65 13.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.553 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.561 -0.733 . . . . 0.0 109.493 178.297 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . 0.48 ' HA2' ' OG ' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.838 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 23.2 Cg_exo -66.78 152.15 81.08 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 123.153 2.569 . . . . 0.0 111.975 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -74.92 93.05 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.203 0.525 . . . . 0.0 110.177 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 90.62 -64.83 2.79 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.215 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.595 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 34.7 t -163.98 -58.79 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' -3' ' ' SER . 9.4 Cg_endo -88.26 99.74 0.41 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.245 1.963 . . . . 0.0 113.522 -171.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.838 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 4.3 mm-40 -78.74 137.79 37.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.005 169.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -121.52 121.32 37.22 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt -141.9 137.53 31.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 155.63 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.9 -171.3 34.93 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.665 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.5 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -113.21 157.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.06 179.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.583 ' HG ' ' HE2' ' A' ' 73' ' ' MET . 3.5 mm? -134.87 155.18 51.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.715 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -71.74 126.76 30.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.351 173.573 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.06 124.24 42.67 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.992 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -74.68 99.58 3.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -69.84 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -162.08 171.37 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.553 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -57.04 -35.61 69.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.89 -41.4 87.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.702 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -87.35 -28.48 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 111.561 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.29 -91.21 1.64 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.18 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.502 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 3.5 p-90 -140.1 140.59 36.1 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -131.29 123.82 19.89 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.0 129.31 21.6 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.646 2.23 . . . . 0.0 111.945 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 25.1 mmt180 -120.66 155.34 34.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.705 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.408 ' HE3' HG12 ' A' ' 4' ' ' VAL . 62.3 t-105 -94.34 121.54 35.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' CD2' HD22 ' A' ' 5' ' ' LEU . 98.5 m-85 -122.91 147.79 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.102 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.44 136.22 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.256 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.567 HD22 HD21 ' A' ' 27' ' ' LEU . 2.9 tm? -103.19 119.34 38.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -144.6 121.11 11.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.953 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 60.75 29.76 19.23 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.898 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.13 7.12 83.83 Favored Glycine 0 C--N 1.322 -0.237 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.568 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -115.05 134.37 58.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD21 HD22 ' A' ' 22' ' ' LEU . 2.7 tm? -104.42 110.68 23.04 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -108.04 140.32 41.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -103.61 146.04 29.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.783 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.786 ' HE1' ' H ' ' A' ' 40' ' ' SER . 70.1 m-85 -138.08 155.42 48.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.064 0.459 . . . . 0.0 110.504 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.17 -27.72 61.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.056 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 t -168.56 -176.96 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.124 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -38.16 88.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.202 0.525 . . . . 0.0 109.871 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.51 -20.94 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.082 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.69 -15.03 53.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.175 0.512 . . . . 0.0 110.561 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -63.62 -44.48 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.885 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.1 t -65.75 -27.71 68.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -63.06 -36.54 83.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.751 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.9 91.18 0.18 Allowed Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.228 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.786 ' H ' ' HE1' ' A' ' 30' ' ' TYR . 58.4 m -56.32 133.63 52.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.059 0.457 . . . . 0.0 111.155 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.6 mptt -77.75 -12.63 59.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.842 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.91 125.85 7.23 Favored Glycine 0 N--CA 1.441 -1.009 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.248 174.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.4 m -138.81 173.3 11.72 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt -110.45 119.63 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.384 0.611 . . . . 0.0 109.937 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -83.48 113.8 21.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.634 ' O ' HD22 ' A' ' 95' ' ' LEU . 94.9 mmm -64.74 -27.7 69.08 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.71 -10.41 59.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.907 HG11 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.67 -6.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.26 0.553 . . . . 0.0 110.235 176.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.726 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.7 t -121.83 125.28 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.869 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.606 ' HB2' HG22 ' A' ' 64' ' ' ILE . 26.7 mt-10 -87.25 133.66 33.64 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.272 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.466 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -97.97 113.32 32.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 164.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HD2' HG21 ' A' ' 64' ' ' ILE . 3.2 mtpt -99.91 108.72 21.03 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.79 0.805 . . . . 0.0 109.667 -170.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 HG23 HG13 ' A' ' 51' ' ' ILE . 41.0 t -117.34 126.73 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.097 -174.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -138.83 135.91 35.07 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.574 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 p -57.25 106.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.466 0.479 . . . . 0.0 110.049 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.28 -74.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.71 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.888 ' HB3' ' HD3' ' A' ' 60' ' ' ARG . 3.1 t70 -150.57 -166.24 2.49 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.961 0.41 . . . . 0.0 111.201 -171.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.555 ' OD1' HG22 ' A' ' 59' ' ' THR . 35.0 t-20 -70.1 133.57 47.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.575 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.84 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 39.4 p 55.01 -110.31 0.55 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.039 0.935 . . . . 0.0 112.881 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.888 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 10.2 ptm180 32.76 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.443 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 1.2 mpp? -133.93 157.09 46.9 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.47 138.72 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.061 -0.399 . . . . 0.0 111.831 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.15 121.45 43.8 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -127.89 117.0 44.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.433 0.635 . . . . 0.0 111.304 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.907 HD13 HG11 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -125.43 118.25 24.87 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.604 ' HD2' HD11 ' A' ' 65' ' ' ILE . 39.1 Cg_exo -58.43 111.85 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.92 2.413 . . . . 0.0 112.077 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.98 -62.68 0.62 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.331 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -104.23 -60.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.689 -0.115 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 65' ' ' ILE . 11.1 pt20 48.16 -160.85 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.346 1.058 . . . . 0.0 113.561 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.5 t60 65.84 48.97 1.75 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.091 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.04 111.27 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -101.01 139.14 37.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.583 ' HE2' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -120.98 137.81 54.46 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -175.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 18.1 ttpp -150.38 120.27 7.12 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.496 ' HB1' HG23 ' A' ' 59' ' ' THR . . . -76.08 -179.15 4.78 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.758 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.779 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.3 t -62.22 -57.74 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.093 0.473 . . . . 0.0 110.086 177.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.419 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 11.0 p30 -142.65 175.03 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.603 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.27 -44.65 16.66 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -44.63 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.779 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.8 mm-40 -61.2 -38.63 87.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.254 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.84 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 22.0 ttp180 -57.23 -45.87 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.982 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 86' ' ' VAL . 56.3 tp60 -62.41 -34.52 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.447 ' HD3' ' OE1' ' A' ' 80' ' ' GLU . 68.1 mtp180 -66.08 -44.51 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.739 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.518 ' CZ2' HD21 ' A' ' 5' ' ' LEU . 94.9 m95 -66.67 -35.81 81.05 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 109.957 175.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.444 HD12 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.724 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.6 t -64.2 -51.6 66.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.792 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.19 20.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.452 . . . . 0.0 111.627 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' ' 84' ' ' TRP . 31.0 mt -74.89 -44.86 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.791 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.43 -36.75 93.57 Favored Glycine 0 CA--C 1.513 -0.055 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.131 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.48 ' OG ' ' HA2' ' A' ' -7' ' ' GLY . 47.5 m -61.98 -28.68 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.19 0.519 . . . . 0.0 110.172 176.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 20.3 t -71.3 -36.02 71.5 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.713 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -70.78 -43.09 69.45 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 0.0 110.525 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.39 103.18 1.57 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.021 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.4 m 66.3 63.85 0.53 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.196 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.637 ' HG ' ' H ' ' A' ' 96' ' ' THR . 14.3 tp -93.32 -169.83 2.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.838 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.637 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -70.78 -179.05 2.05 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.3 0.571 . . . . 0.0 112.345 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -71.32 174.61 6.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.162 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.9 p 56.29 61.23 2.79 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.207 1.003 . . . . 0.0 112.592 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -98.79 112.03 24.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.684 174.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 C--O 1.249 1.078 0 O-C-N 123.605 0.565 . . . . 0.0 110.993 -175.751 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . 0.412 ' H2 ' ' CD ' ' A' ' -1' ' ' GLU . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.654 ' HB3' ' HG3' ' A' ' -1' ' ' GLU . 10.2 Cg_endo -87.41 100.91 0.5 Allowed 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.464 2.109 . . . . 0.0 111.994 -176.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 65.3 tp -107.94 111.07 22.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.998 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.74 -63.75 4.19 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 33.8 t -90.9 120.05 68.79 Favored Pre-proline 0 N--CA 1.446 -0.66 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 175.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 22.9 Cg_exo -65.06 135.59 44.5 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.726 2.284 . . . . 0.0 111.62 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.654 ' HG3' ' HB3' ' A' ' -6' ' ' PRO . 47.8 mt-10 -73.15 148.22 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.371 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -103.51 122.95 45.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt -127.29 135.57 50.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.357 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.905 0.383 . . . . 0.0 111.339 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.44 -167.22 28.58 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.1 m -117.73 159.89 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.245 0.523 . . . . 0.0 110.6 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.723 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.8 159.79 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -68.53 127.7 33.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.292 172.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -121.18 117.7 27.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.058 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -73.38 131.75 42.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.652 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 p -117.95 -73.24 0.65 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -139.8 155.24 47.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -71.48 -17.25 62.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.974 0.416 . . . . 0.0 110.071 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.01 -41.42 64.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.678 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -84.91 -36.33 21.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.204 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.28 -102.84 2.62 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 7.1 p-90 -137.91 147.66 44.6 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -127.93 122.1 22.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.26 123.75 12.32 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.062 1.841 . . . . 0.0 111.577 172.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.21 156.52 34.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.255 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -94.27 122.5 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.095 0.474 . . . . 0.0 110.262 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.405 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 89.9 m-85 -122.99 145.26 48.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.378 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -135.94 136.28 49.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.6 HD23 HD22 ' A' ' 27' ' ' LEU . 2.8 tm? -102.81 118.82 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -147.34 121.79 9.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.199 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 56.89 42.02 27.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.609 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.95 5.14 84.31 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.837 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.428 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 38.6 mm -116.45 132.34 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.6 HD22 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -104.48 109.0 20.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 p -108.82 148.79 30.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.05 0.452 . . . . 0.0 111.391 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -121.07 135.09 55.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.096 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 40' ' ' SER . 97.1 m-85 -132.33 170.68 14.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -71.55 -39.86 70.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.411 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 68.9 m -156.75 -178.21 7.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.208 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.6 -49.61 76.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.114 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 -30.78 71.12 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.104 0.478 . . . . 0.0 111.302 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 38.8 t70 -69.06 -24.01 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.508 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' A' ' 30' ' ' TYR . 94.4 t -66.03 -42.34 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.212 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.0 m -67.04 -19.7 65.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.52 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 34.1 mmtt -65.74 -38.77 90.05 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.457 0.646 . . . . 0.0 110.546 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.11 48.72 3.49 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.801 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.549 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 33.0 m -71.02 140.98 50.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.106 0.479 . . . . 0.0 110.858 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 9.9 mptt -78.48 -0.15 28.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.826 -175.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.15 90.25 0.43 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.158 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.428 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 9.7 p -137.7 157.18 47.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.047 0.451 . . . . 0.0 111.279 -176.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.9 mt -112.56 124.28 69.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.164 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -79.5 114.65 18.59 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.081 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.655 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.7 mtp -62.82 -31.77 72.83 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.289 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.512 ' HA ' HD13 ' A' ' 95' ' ' LEU . . . -71.01 -9.62 58.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.896 HG11 HD13 ' A' ' 65' ' ' ILE . 9.1 p -124.62 2.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.781 0.8 . . . . 0.0 109.899 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.675 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 31.3 t -129.21 128.19 42.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.324 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 64' ' ' ILE . 49.5 mt-10 -86.81 138.96 31.16 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.054 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.72 116.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 166.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.661 ' HE2' HG22 ' A' ' 64' ' ' ILE . 29.5 mmtt -83.01 106.64 14.99 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.98 -169.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' A' ' 92' ' ' LYS . 72.1 t -138.57 107.06 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.927 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.502 ' HE2' HG21 ' A' ' 100' ' ' THR . 62.2 m-70 -124.66 -89.46 0.58 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.544 173.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m -108.89 41.94 1.51 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.471 0.653 . . . . 0.0 109.79 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.88 80.27 1.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.329 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.836 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 17.5 m-20 -104.21 41.6 1.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.724 -176.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.674 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 23.8 t-20 -162.48 88.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 111.723 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.561 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 22.4 p 67.06 -38.82 0.34 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 168.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.674 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -89.12 127.97 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -168.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -141.14 157.83 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.895 174.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -123.43 141.21 52.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.842 -0.536 . . . . 0.0 111.074 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.04 120.47 41.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.661 HG22 ' HE2' ' A' ' 52' ' ' LYS . 1.2 tp -124.56 115.76 45.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.428 0.632 . . . . 0.0 111.56 -176.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.896 HD13 HG11 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -128.45 114.05 19.62 Favored Pre-proline 0 N--CA 1.448 -0.551 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.672 177.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.662 ' HD2' HD11 ' A' ' 65' ' ' ILE . 51.5 Cg_exo -54.12 115.18 2.19 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.096 2.531 . . . . 0.0 112.945 -172.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.95 -55.21 0.55 Allowed Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.686 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 38.6 mt-10 -88.73 -71.84 0.57 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.535 ' H ' HG22 ' A' ' 65' ' ' ILE . 10.3 pt20 43.48 -157.72 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.427 1.08 . . . . 0.0 113.609 169.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 65.7 29.94 10.53 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.493 0.663 . . . . 0.0 109.95 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -105.25 111.75 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.703 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -106.97 141.48 38.12 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.723 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -121.17 137.03 54.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.143 -174.066 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 85.4 tttt -148.13 120.53 8.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 169.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.94 176.23 9.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.373 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.881 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.2 t -55.88 -54.68 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.064 0.459 . . . . 0.0 110.649 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.49 ' C ' HG21 ' A' ' 59' ' ' THR . 32.1 p30 -143.72 177.98 8.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.304 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -54.61 -39.18 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 111.22 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.06 88.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.834 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.881 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.6 mm-40 -60.87 -36.44 79.19 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.301 0.572 . . . . 0.0 110.349 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.836 ' NH1' ' HA ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -56.75 -40.32 75.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.989 174.496 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.9 tp60 -64.92 -33.9 77.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.037 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.436 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 57.0 mtt180 -63.66 -44.1 94.77 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.096 0.474 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.555 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.9 m95 -68.27 -35.33 77.71 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.073 175.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.607 HD12 ' HG2' ' A' ' 81' ' ' ARG . 5.5 mp -63.15 -31.15 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.932 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.86 -51.64 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.09 25.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.084 0.469 . . . . 0.0 112.071 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 84' ' ' TRP . 23.4 mt -73.98 -40.13 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.612 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 85' ' ' LEU . . . -69.94 -30.02 70.43 Favored Glycine 0 CA--C 1.512 -0.129 0 CA-C-N 115.773 -0.648 . . . . 0.0 113.327 -173.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -63.96 -30.78 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.482 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 50.8 m -69.77 -37.56 76.41 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.752 173.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.515 ' HD3' ' HB ' ' A' ' 53' ' ' VAL . 16.1 ttpp -59.46 -21.1 59.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.47 91.36 0.12 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.885 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t 66.35 53.07 1.03 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.676 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.655 HD21 ' O ' ' A' ' 46' ' ' MET . 19.0 tp -103.04 131.06 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.364 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.435 ' HG1' ' C ' ' A' ' 95' ' ' LEU . 2.7 p 53.01 138.24 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.469 ' C ' ' HG1' ' A' ' 98' ' ' THR . 5.5 p-10 -80.23 159.51 25.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.664 173.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.469 ' HG1' ' C ' ' A' ' 97' ' ' ASP . 35.2 p 48.78 51.57 15.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.438 0.637 . . . . 0.0 110.66 -172.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -67.36 163.89 19.75 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.028 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.553 HG23 ' HZ2' ' A' ' 52' ' ' LYS . 16.1 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.795 -177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . 0.793 ' H2 ' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.98 128.5 23.16 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.834 2.356 . . . . 0.0 111.361 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 50.4 tp -89.31 118.18 28.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 82.1 -73.46 2.63 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.296 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.771 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 11.2 t -161.45 -44.51 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.464 0 CA-C-O 118.857 -0.592 . . . . 0.0 112.224 -177.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.771 ' HD2' ' H ' ' A' ' -3' ' ' SER . 0.9 OUTLIER -44.57 107.54 0.1 Allowed 'Trans proline' 0 C--N 1.365 1.403 0 C-N-CA 123.01 2.473 . . . . 0.0 113.183 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -122.13 68.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.431 -0.804 . . . . 0.0 108.971 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 78.9 t80 -125.85 129.73 49.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.172 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tpt -140.35 139.7 35.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -140.39 163.68 32.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.578 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.33 24.4 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.432 ' C ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -112.26 157.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 117.666 0.733 . . . . 0.0 110.565 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD22 ' CE2' ' A' ' 84' ' ' TRP . 3.6 mm? -132.41 150.07 52.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.187 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.672 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -71.49 119.84 16.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.808 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -123.52 123.41 40.55 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -85.56 128.95 34.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.579 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.443 ' HG1' ' CD ' ' A' ' 16' ' ' GLN . 59.0 p -109.98 -81.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.708 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -127.09 156.78 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -68.45 -21.97 64.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.42 -41.02 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.936 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.648 ' HB ' ' NE2' ' A' ' 16' ' ' GLN . 3.1 p -82.34 -40.4 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.292 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.49 -125.85 8.72 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.749 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.604 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.7 p-90 -110.22 136.38 49.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.648 ' NE2' ' HB ' ' A' ' 13' ' ' THR . 23.5 mp0 -121.37 120.88 28.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.526 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.96 126.24 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.277 1.985 . . . . 0.0 111.983 170.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.594 HH11 ' HA ' ' A' ' 31' ' ' ASP . 22.9 mmt180 -129.64 155.77 45.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -94.01 120.9 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 110.179 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 58.7 m-85 -115.97 148.91 39.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.54 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG22 ' HE2' ' A' ' 30' ' ' TYR . 34.7 m -135.58 135.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.999 0.428 . . . . 0.0 110.445 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.78 120.3 40.36 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -138.88 106.19 5.52 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 123.299 0.374 . . . . 0.0 110.451 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 49.22 64.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.53 -10.47 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.978 -0.63 . . . . 0.0 113.986 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mm -114.86 130.91 68.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.859 0.829 . . . . 0.0 111.128 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.6 111.28 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -113.27 144.38 42.82 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 122.312 -0.242 . . . . 0.0 111.025 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.474 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 41.2 p90 -117.89 139.04 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.691 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HE2' HG22 ' A' ' 21' ' ' VAL . 71.1 m-85 -130.57 177.85 7.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.765 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.594 ' HA ' HH11 ' A' ' 18' ' ' ARG . 13.0 t70 -69.02 -38.47 79.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.433 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 p -172.5 -171.93 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -44.93 86.61 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.284 0.365 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.69 -39.65 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.861 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 26.6 t70 -74.0 -14.58 61.04 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.531 -172.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.8 -38.9 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.499 . . . . 0.0 110.724 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.2 t -70.35 -23.04 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.344 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 13.8 mmtm -61.35 -40.69 95.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.325 0.583 . . . . 0.0 110.981 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.85 115.72 3.45 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.112 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 p -77.44 136.5 38.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.287 0.565 . . . . 0.0 112.028 -174.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.4 mptt -93.03 -24.03 18.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.992 174.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.75 85.26 0.39 Allowed Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.762 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 m -108.08 161.07 15.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.7 mt -110.89 120.72 62.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.568 0.699 . . . . 0.0 110.323 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -83.84 114.47 21.66 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.43 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.43 ' SD ' HD21 ' A' ' 88' ' ' LEU . 1.7 mtp -63.99 -28.85 70.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.965 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HA ' HD23 ' A' ' 95' ' ' LEU . . . -67.86 -15.24 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.995 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.908 HG11 HD12 ' A' ' 65' ' ' ILE . 8.2 p -125.0 0.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.525 0.678 . . . . 0.0 110.336 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.633 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 41.2 t -126.19 134.74 51.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.428 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.657 ' HB2' HG21 ' A' ' 64' ' ' ILE . 53.3 mt-10 -89.36 134.76 33.93 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.444 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.638 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.91 115.88 41.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 165.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -85.38 109.34 18.34 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.234 0.54 . . . . 0.0 109.766 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.638 HG23 HG13 ' A' ' 51' ' ' ILE . 74.2 t -128.14 126.73 66.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.358 -175.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -155.2 130.63 9.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.217 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.453 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 69.8 m 59.32 -172.15 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.932 0.77 . . . . 0.0 112.91 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.14 35.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.875 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.453 ' OD1' ' HB2' ' A' ' 55' ' ' SER . 3.9 m-20 -55.05 152.13 8.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.791 175.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.484 ' N ' HD21 ' A' ' 58' ' ' ASN . 0.9 OUTLIER -87.72 104.71 16.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.507 -177.213 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.591 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 43.4 p 52.44 59.49 4.47 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.744 177.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -128.56 99.48 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.804 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.774 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.1 mpp? -141.78 155.35 45.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.603 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -136.58 141.59 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.095 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 51' ' ' ILE . 3.9 mm? -111.01 120.28 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.657 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -124.86 116.07 46.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.553 0.692 . . . . 0.0 111.027 -178.068 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.908 HD12 HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -126.38 115.2 23.33 Favored Pre-proline 0 N--CA 1.447 -0.579 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.739 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 65' ' ' ILE . 43.4 Cg_exo -56.55 114.81 2.08 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.918 2.412 . . . . 0.0 112.279 -175.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.78 -58.63 0.69 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.804 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.427 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 24.5 mt-10 -101.91 -62.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.427 ' HG2' ' C ' ' A' ' 68' ' ' GLU . 17.1 pt20 46.28 -162.25 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.337 1.055 . . . . 0.0 113.564 171.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 67.9 40.78 2.26 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.382 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.65 112.34 23.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.789 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -108.45 146.94 32.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mtt -127.86 137.28 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.263 0.554 . . . . 0.0 112.205 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.672 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 78.8 tttt -138.28 122.11 17.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.225 166.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HB1' HG21 ' A' ' 59' ' ' THR . . . -79.72 -179.71 7.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.245 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.75 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 94.4 t -59.04 -55.74 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.11 0.481 . . . . 0.0 110.746 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.447 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -145.56 170.68 15.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.838 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -49.33 -42.71 42.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.35 97.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.009 0.433 . . . . 0.0 111.412 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.75 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 20.7 mm-40 -64.8 -33.69 76.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.595 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.774 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 26.8 ttt180 -58.63 -45.23 89.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.588 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.0 tp60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.787 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -62.26 -45.53 92.88 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.055 0.455 . . . . 0.0 111.035 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 88' ' ' LEU . 92.8 m95 -68.84 -36.6 78.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 109.937 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.2 mp -60.34 -32.54 71.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.097 175.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.793 HG12 ' H2 ' ' A' ' -7' ' ' GLY . 41.8 t -62.78 -51.76 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.894 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.28 15.19 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.029 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB3' HG12 ' A' ' 51' ' ' ILE . 35.3 mt -73.48 -44.94 56.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.339 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.47 -33.27 86.79 Favored Glycine 0 C--O 1.229 -0.163 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.811 -173.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.43 ' OG ' ' HA2' ' A' ' -7' ' ' GLY . 19.9 m -65.24 -31.97 73.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.025 0.44 . . . . 0.0 110.193 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 t -70.51 -32.03 69.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.54 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.611 ' HA ' ' NH1' ' A' ' 99' ' ' ARG . 14.3 tttm -70.14 -39.95 75.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.902 0.382 . . . . 0.0 111.076 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.71 117.97 10.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.857 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m 63.84 38.84 8.75 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.405 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.667 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 58.0 tp -118.81 138.14 52.91 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.425 ' HG1' ' C ' ' A' ' 95' ' ' LEU . 13.0 p 57.36 170.23 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.176 0.991 . . . . 0.0 112.66 -176.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -106.14 151.35 24.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.99 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p 48.87 61.57 3.03 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.834 0.709 . . . . 0.0 111.468 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.667 ' NH1' ' HB3' ' A' ' 95' ' ' LEU . 2.4 ttt180 -97.93 148.23 23.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.555 -175.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.208 179.18 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . 0.403 ' HA2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.95 122.18 11.17 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.441 2.094 . . . . 0.0 111.281 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' -5' ' ' LEU . 0.2 OUTLIER -67.91 106.43 2.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.162 0.506 . . . . 0.0 110.024 -176.403 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.52 -68.67 3.31 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.05 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.456 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 72.4 m -162.72 -48.94 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.456 ' HD2' ' H ' ' A' ' -3' ' ' SER . 71.5 Cg_exo -50.74 110.65 0.42 Allowed 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.583 2.189 . . . . 0.0 113.469 -177.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -103.5 79.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.646 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 74.7 t80 -126.21 137.25 53.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.084 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -140.06 140.29 36.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.264 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.7 153.45 49.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.79 -165.67 28.82 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -119.26 160.87 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 117.12 0.46 . . . . 0.0 110.39 178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.474 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -133.22 151.73 51.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.202 176.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.73 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -67.9 119.79 13.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.982 171.465 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 7' ' ' LYS . 1.7 tmtp? -116.96 116.64 27.77 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -74.4 123.03 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.126 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 p -106.26 -65.26 1.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -155.24 166.77 32.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -70.33 -26.89 63.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.723 0.297 . . . . 0.0 110.817 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.85 -41.58 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.037 0.446 . . . . 0.0 111.129 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 p -86.11 -27.2 24.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.546 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.8 -121.67 5.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.633 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.73 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.3 p-90 -113.7 145.18 41.73 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 21.6 mm-40 -130.75 121.88 19.29 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.426 176.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 37.9 Cg_endo -67.71 114.98 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.643 2.228 . . . . 0.0 111.883 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -112.32 154.24 25.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -93.58 127.79 39.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.69 145.52 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.835 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.523 HG23 ' HE1' ' A' ' 30' ' ' TYR . 27.9 m -134.09 136.4 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.976 0.417 . . . . 0.0 110.064 174.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD22 HD21 ' A' ' 27' ' ' LEU . 3.0 tm? -102.29 119.44 38.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -144.44 131.3 20.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.16 0.505 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 57.73 31.53 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.123 173.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.69 8.32 87.0 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.066 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.69 134.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.543 -0.386 . . . . 0.0 110.246 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD21 HD22 ' A' ' 22' ' ' LEU . 2.7 tm? -105.67 110.03 22.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -108.41 148.86 29.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -176.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -110.84 145.17 38.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.646 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 97.3 m-85 -133.96 162.63 31.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.484 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.53 -37.66 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 p -161.16 -176.72 5.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.889 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.19 -47.88 78.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.521 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' OD2' ' HE2' ' A' ' 38' ' ' LYS . 17.1 t70 -71.7 -19.16 62.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.61 -177.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.709 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 36.4 t70 -68.39 -18.05 64.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.128 0.49 . . . . 0.0 110.226 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.646 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 90.7 t -61.36 -41.5 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.915 174.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 t -68.25 -29.71 68.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.54 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.709 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 40.1 mmtt -66.9 -27.68 67.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.749 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.69 132.86 7.39 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -64.34 137.21 57.79 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.316 0.579 . . . . 0.0 111.745 179.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.611 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 5.6 mptt -81.11 -17.5 49.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.87 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.97 168.91 40.59 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.814 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.7 m -146.17 156.34 43.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.003 0.43 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 HG21 ' SG ' ' A' ' 49' ' ' CYS . 85.6 mt -110.31 120.15 60.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.563 0.697 . . . . 0.0 109.468 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.562 ' HG2' HG11 ' A' ' 48' ' ' VAL . 22.0 ttmt -84.08 104.35 14.07 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.427 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.402 ' HE1' ' HB ' ' A' ' 51' ' ' ILE . 94.7 mmm -59.2 -26.87 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 111.585 -177.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.666 ' HA ' HD22 ' A' ' 95' ' ' LEU . . . -67.97 -15.62 63.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.937 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.714 HG13 HD11 ' A' ' 65' ' ' ILE . 6.3 p -125.36 -2.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.434 0.635 . . . . 0.0 110.372 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.834 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 33.6 m -122.36 127.94 50.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.255 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.658 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.6 mm-40 -87.93 128.99 35.37 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.297 0.57 . . . . 0.0 110.726 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.616 HG13 HG21 ' A' ' 53' ' ' VAL . 2.3 tp -97.92 122.5 49.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HE2' ' CG2' ' A' ' 100' ' ' THR . 13.3 mmtp -84.58 107.08 16.61 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.721 -172.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.616 HG21 HG13 ' A' ' 51' ' ' ILE . 88.8 t -135.52 111.82 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.005 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -125.67 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.278 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 p -113.02 163.99 14.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.057 0.456 . . . . 0.0 111.464 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.526 ' HA ' HH12 ' A' ' 81' ' ' ARG . . . -78.89 64.39 3.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.658 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.49 -176.31 6.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -104.39 106.64 17.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.962 0.411 . . . . 0.0 110.472 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.62 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 73.6 p 52.21 61.97 2.93 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.208 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -131.91 94.34 3.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.474 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.2 mpp? -139.24 153.86 47.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -136.76 139.74 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.002 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.94 121.01 43.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.658 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -123.42 115.7 46.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.451 0.643 . . . . 0.0 110.718 -179.182 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.834 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -130.28 119.94 18.83 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.936 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.67 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.9 Cg_exo -56.15 124.8 17.15 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.628 2.219 . . . . 0.0 111.96 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.68 -52.22 0.68 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.958 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 24.7 mt-10 -110.48 -68.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.74 -0.27 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 2.3 pt20 48.62 -161.46 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.081 0.952 . . . . 0.0 113.326 174.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 64.78 50.95 1.92 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.698 0.761 . . . . 0.0 110.104 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.72 116.34 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.992 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -110.42 139.32 45.76 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.474 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 28.6 mtt -121.42 136.85 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.181 0.515 . . . . 0.0 111.378 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.684 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 81.0 tttt -134.98 121.1 20.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.94 178.93 7.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.828 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 80.5 t -58.6 -55.88 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.692 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.428 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -142.73 171.51 13.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.194 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.537 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.71 -41.43 31.77 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.08 90.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.828 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 17.6 mm-40 -60.94 -36.11 78.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 109.92 177.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.62 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.73 -45.82 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.982 174.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.588 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 1.8 tt0 -68.31 -32.46 72.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.521 -176.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -61.44 -42.69 99.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.919 0.39 . . . . 0.0 110.631 176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.455 ' HB3' HD11 ' A' ' 88' ' ' LEU . 93.0 m95 -66.62 -38.84 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.145 173.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 6.7 mp -60.14 -32.72 71.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.507 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG21 ' O ' ' A' ' 82' ' ' GLN . 48.8 t -63.54 -51.74 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.006 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.97 25.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 111.597 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.455 HD11 ' HB3' ' A' ' 84' ' ' TRP . 25.4 mt -72.46 -37.26 68.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.235 0.54 . . . . 0.0 111.135 -176.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.85 -31.65 73.04 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.886 -0.674 . . . . 0.0 111.605 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -61.77 -35.91 79.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -66.8 -49.59 65.34 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.475 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' HZ3' ' CD ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -63.66 -37.25 86.65 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.132 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.8 126.47 28.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.762 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.1 p 51.88 48.07 23.52 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.746 0.818 . . . . 0.0 112.344 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' A' ' 47' ' ' ALA . 32.5 tp -130.92 130.64 43.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 176.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.413 ' HG1' ' C ' ' A' ' 95' ' ' LEU . 21.5 p 51.22 -177.74 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.22 170.98 10.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.123 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.2 p 51.7 57.9 6.05 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.914 0.759 . . . . 0.0 110.886 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 66.8 mtm180 -89.34 -175.67 4.82 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.296 -176.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.562 ' CG2' ' HE2' ' A' ' 52' ' ' LYS . 3.5 t . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.268 -0.872 . . . . 0.0 109.968 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . 0.419 ' HA2' ' HD3' ' A' ' -6' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.704 0 CA-C-O 120.065 -0.297 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.419 ' HD3' ' HA2' ' A' ' -7' ' ' GLY . 6.1 Cg_exo -77.29 95.32 1.07 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.732 2.288 . . . . 0.0 110.388 175.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -108.63 121.93 46.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.235 -171.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.47 -57.98 4.69 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 17.9 m -102.29 128.38 28.48 Favored Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.519 -0.341 . . . . 0.0 110.585 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 12.1 Cg_exo -70.38 136.94 32.54 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.015 2.477 . . . . 0.0 111.861 178.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.03 134.56 53.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.216 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -113.94 123.08 48.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -137.27 137.16 38.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.759 0.314 . . . . 0.0 111.173 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -143.5 162.09 36.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.991 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.44 179.87 22.91 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.511 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.454 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -106.2 157.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.213 0.53 . . . . 0.0 110.155 178.711 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.575 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -131.41 151.34 51.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.034 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.657 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -70.62 99.84 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.945 175.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -99.01 115.37 28.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.024 0.44 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.01 139.04 48.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.823 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -120.05 -68.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -143.38 163.23 33.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -62.79 -33.71 75.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.82 -41.07 62.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -84.25 -31.37 25.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.812 -176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.98 -119.16 5.03 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.604 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 12.4 p-90 -119.18 154.42 33.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 -177.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -127.71 123.0 22.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.676 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.55 105.37 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.6 2.2 . . . . 0.0 111.91 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 32.7 mmt180 -111.25 150.55 29.45 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.371 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.408 ' CE3' HG12 ' A' ' 4' ' ' VAL . 39.3 t-105 -94.16 125.47 38.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.249 -173.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 5' ' ' LEU . 58.1 m-85 -120.13 148.08 44.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.999 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -135.69 136.58 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.468 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.605 HD23 HD21 ' A' ' 27' ' ' LEU . 2.7 tm? -102.53 119.12 38.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.55 115.74 8.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -174.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 54.33 38.69 29.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.833 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 2.95 86.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.383 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 37.6 mm -113.43 128.14 70.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.903 0.383 . . . . 0.0 110.247 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD21 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -100.76 108.79 20.71 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 m -108.0 146.63 32.24 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.7 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -116.18 146.12 42.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.916 0.389 . . . . 0.0 110.022 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.709 ' HE1' ' H ' ' A' ' 40' ' ' SER . 72.8 m-85 -136.57 169.71 17.25 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.64 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.86 -38.43 91.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.025 0.44 . . . . 0.0 110.191 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.7 p -172.06 -173.26 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.031 -177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -56.34 -45.49 80.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' HE2' ' A' ' 38' ' ' LYS . 31.5 t70 -66.39 -33.49 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.035 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.745 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 32.5 t70 -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.006 -177.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.486 HG22 ' CD2' ' A' ' 30' ' ' TYR . 95.9 t -60.19 -40.42 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.27 0.557 . . . . 0.0 110.074 175.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.9 t -72.01 -28.27 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.545 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.745 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 48.5 mmtt -62.42 -46.29 89.23 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.347 0.594 . . . . 0.0 110.497 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.34 68.03 1.08 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.596 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.709 ' H ' ' HE1' ' A' ' 30' ' ' TYR . 72.4 m -67.91 142.78 55.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.059 0.457 . . . . 0.0 111.107 176.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -84.12 27.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.511 -175.178 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.37 118.28 3.9 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.687 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.45 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 8.8 p -146.97 152.68 39.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -112.09 120.47 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.314 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HB3' HG11 ' A' ' 48' ' ' VAL . 31.9 ttmt -77.8 116.51 18.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.735 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.431 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.7 mtp -64.16 -30.84 71.88 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -9.76 54.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.655 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.931 HG13 HD12 ' A' ' 65' ' ' ILE . 9.8 p -126.2 1.21 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.223 0.535 . . . . 0.0 110.463 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.701 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.6 t -129.94 131.45 45.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -175.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.676 ' HB2' HG21 ' A' ' 64' ' ' ILE . 20.3 mt-10 -88.92 132.26 34.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.54 HG13 HG21 ' A' ' 53' ' ' VAL . 1.2 tp -98.61 119.59 46.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 165.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -84.24 106.95 16.26 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.397 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.54 HG21 HG13 ' A' ' 51' ' ' ILE . 96.2 t -120.55 108.94 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.784 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -158.81 156.64 30.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.382 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m 68.17 -174.25 0.19 Allowed 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.842 0.714 . . . . 0.0 111.9 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.34 145.27 52.07 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.301 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.734 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 7.4 p-10 -81.01 128.27 33.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.014 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 78' ' ' ALA . 32.8 t-20 -169.58 75.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.847 172.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.815 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 21.8 p 68.23 -41.6 0.45 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.402 1.481 . . . . 0.0 114.895 172.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -73.14 116.24 13.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.0 156.95 38.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.111 0.481 . . . . 0.0 111.17 165.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -121.01 143.81 48.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.481 -174.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.76 121.91 45.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.409 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.676 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -124.38 117.01 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.318 0.58 . . . . 0.0 110.779 -178.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.931 HD12 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.08 119.63 18.89 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.525 -178.274 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.596 ' HD2' HD13 ' A' ' 65' ' ' ILE . 52.2 Cg_exo -55.97 121.69 10.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.567 2.178 . . . . 0.0 111.659 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.4 -55.23 0.7 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -114.62 -65.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.521 ' HB2' HD12 ' A' ' 64' ' ' ILE . 9.3 pt20 52.77 -173.14 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 60.77 50.22 5.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.916 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.84 111.55 24.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.376 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -99.91 129.64 46.01 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.575 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 86.7 mtp -124.56 136.48 54.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.154 0.502 . . . . 0.0 109.841 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -132.5 127.01 34.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.9 177.72 8.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.843 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 t -59.91 -60.48 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.665 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -136.39 178.3 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.11 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 58' ' ' ASN . . . -49.8 -47.61 51.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.98 0.512 . . . . 0.0 112.275 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.15 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.843 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 13.3 mm-40 -63.97 -38.46 91.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.353 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.815 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 10.7 ttt180 -59.26 -44.32 92.42 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.546 173.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 57.5 tp60 -59.87 -33.01 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.553 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -63.35 -46.18 87.73 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.138 0.494 . . . . 0.0 110.409 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.531 ' HB3' HD11 ' A' ' 88' ' ' LEU . 96.5 m95 -65.07 -37.71 88.43 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.811 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.596 HD12 ' HG2' ' A' ' 81' ' ' ARG . 6.3 mp -63.11 -32.1 73.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.507 178.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.55 -51.84 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.853 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.34 22.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.995 0.426 . . . . 0.0 111.896 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 84' ' ' TRP . 44.7 mt -72.84 -39.98 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.593 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.85 -30.67 77.63 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.889 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -63.98 -28.41 69.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.615 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 50.1 m -70.14 -49.66 48.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.743 174.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.435 ' HE2' ' HB ' ' A' ' 53' ' ' VAL . 17.3 ttpp -56.84 -42.64 80.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.481 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.09 100.21 0.74 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.405 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t 68.97 59.01 0.36 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.195 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.925 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 17.2 tp -101.61 -173.04 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.656 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.647 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -65.69 -176.63 0.38 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.87 177.12 0.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.166 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.3 p 52.5 64.78 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.706 -1.134 . . . . 0.0 112.512 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.925 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 61.3 mtm180 -121.25 91.65 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.46 174.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.342 -0.837 . . . . 0.0 111.729 -175.715 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.779 ' HG2' ' HG3' ' A' ' -1' ' ' GLU . 99.2 Cg_exo -48.86 108.48 0.19 Allowed 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.794 2.996 . . . . 0.0 113.658 178.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.73 117.74 31.1 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 79.74 -55.5 4.48 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.018 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 18.9 p -65.8 132.02 94.75 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.04 121.13 9.35 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.105 2.537 . . . . 0.0 112.848 -176.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.779 ' HG3' ' HG2' ' A' ' -6' ' ' PRO . 37.9 tt0 -76.46 83.67 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.4 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -126.56 135.01 50.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.065 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -139.95 141.14 36.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.129 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.21 151.42 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.56 -170.26 33.49 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.04 160.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 117.309 0.554 . . . . 0.0 110.425 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HG ' ' HG2' ' A' ' 73' ' ' MET . 3.0 mm? -135.26 150.97 50.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.199 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.752 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -74.61 120.08 19.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.065 172.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -113.78 117.56 31.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -67.9 131.48 45.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.818 0.342 . . . . 0.0 110.177 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -114.12 -79.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.53 162.25 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -63.09 -29.57 70.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.419 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.27 -40.75 64.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 111.588 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -88.08 -24.63 23.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.711 -177.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 -122.14 5.96 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.009 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.752 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.6 p-90 -108.75 144.08 37.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -177.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -130.86 122.76 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.987 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.35 131.05 14.64 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.67 2.247 . . . . 0.0 112.032 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -133.05 160.15 37.99 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -93.44 123.7 36.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.137 0.494 . . . . 0.0 110.268 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 55.8 m-85 -121.25 145.25 48.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.698 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 m -135.28 138.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.009 0.433 . . . . 0.0 110.424 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 HD22 HD22 ' A' ' 27' ' ' LEU . 2.8 tm? -100.57 118.78 37.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -134.63 106.6 7.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.001 0.905 . . . . 0.0 111.286 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 53.39 60.14 3.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.118 172.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 81.81 -8.7 58.98 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.772 -0.728 . . . . 0.0 114.055 176.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.89 136.21 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 117.495 0.648 . . . . 0.0 110.278 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.531 HD22 HD22 ' A' ' 22' ' ' LEU . 3.2 tm? -102.86 110.21 22.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -107.6 130.63 54.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.579 0.704 . . . . 0.0 111.364 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 31.2 p90 -100.67 140.99 34.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.022 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.9 m-85 -136.41 159.05 42.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.15 0.5 . . . . 0.0 110.024 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -76.21 -23.21 54.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.503 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 14.4 t -158.22 -174.08 4.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.881 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.49 -52.74 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.36 -21.53 66.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.76 0.791 . . . . 0.0 110.366 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 27.0 t70 -67.03 -20.81 65.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.837 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.587 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 97.0 t -59.9 -37.11 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.124 0.487 . . . . 0.0 111.132 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.7 m -75.49 -21.54 57.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.676 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 47.7 mmtt -65.23 -36.35 83.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.137 0.494 . . . . 0.0 111.323 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.07 126.87 4.8 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.484 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.2 p -89.22 138.29 31.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.102 0.477 . . . . 0.0 111.242 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.26 30.56 6.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.998 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.36 -87.75 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.832 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m 69.21 171.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.389 0.614 . . . . 0.0 111.504 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.472 HG21 ' SG ' ' A' ' 49' ' ' CYS . 77.4 mt -111.82 120.72 62.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.184 -176.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' HG11 ' A' ' 48' ' ' VAL . 25.9 ttmt -83.91 103.65 13.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.943 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.644 ' O ' HD23 ' A' ' 95' ' ' LEU . 94.6 mmm -57.98 -26.17 61.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.363 . . . . 0.0 111.707 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -70.37 -13.79 62.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.814 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -126.1 2.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.512 0.672 . . . . 0.0 109.971 176.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.893 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 37.5 m -127.87 117.96 22.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.818 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.477 ' HB2' HG21 ' A' ' 64' ' ' ILE . 2.0 mp0 -87.35 135.26 33.39 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.414 0.626 . . . . 0.0 110.706 -176.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 53' ' ' VAL . 1.9 tp -98.39 118.85 45.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 25.5 mmmt -85.07 107.75 17.32 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.433 0.635 . . . . 0.0 109.726 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.652 HG22 HG13 ' A' ' 51' ' ' ILE . 63.9 t -134.98 107.77 8.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.697 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -148.22 -50.74 0.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -62.78 -32.69 73.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.15 -176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 58.06 37.05 26.47 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.276 0.56 . . . . 0.0 110.918 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.541 ' HB3' ' HD2' ' A' ' 60' ' ' ARG . 4.5 t0 -85.4 179.77 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.544 -176.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.662 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 20.0 t-20 -69.17 99.62 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.857 0.361 . . . . 0.0 111.384 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.67 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 67.6 p 54.82 39.54 31.49 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.662 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 97.7 mtt180 -118.86 98.11 6.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.916 0.389 . . . . 0.0 111.202 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.44 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.3 mpp? -134.65 156.6 48.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 52' ' ' LYS . 28.2 tt0 -127.1 136.89 52.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -109.24 121.08 44.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -123.55 118.62 54.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 121.236 0.541 . . . . 0.0 110.918 -179.049 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.893 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -126.01 116.84 23.96 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.794 177.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.607 ' HD2' HD11 ' A' ' 65' ' ' ILE . 31.3 Cg_exo -59.0 113.22 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.959 2.439 . . . . 0.0 112.101 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.58 -59.89 0.68 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.861 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.52 -59.42 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 45.04 -157.32 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.152 0.981 . . . . 0.0 113.188 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 t60 68.7 43.88 1.24 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.521 0.677 . . . . 0.0 110.154 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -117.0 112.09 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.485 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -105.64 142.55 35.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.437 ' HG2' ' HG ' ' A' ' 5' ' ' LEU . 19.9 mtt -121.75 137.85 54.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.117 0.484 . . . . 0.0 111.428 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.681 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 32.2 tttm -140.72 120.63 13.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 169.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.51 -178.23 6.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.747 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.5 t -60.83 -61.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 110.474 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.12 164.4 30.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.659 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.05 -40.94 15.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.58 98.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 0.0 111.684 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.747 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 9.5 mm-40 -60.96 -39.26 88.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.349 0.595 . . . . 0.0 109.761 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.67 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.3 ttp180 -57.75 -44.63 86.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.454 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.533 ' HB2' HH21 ' A' ' 81' ' ' ARG . 27.4 tp60 -61.97 -35.06 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.652 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -65.02 -44.63 88.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.594 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.451 ' HB3' HD11 ' A' ' 88' ' ' LEU . 91.5 m95 -62.88 -39.92 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.204 0.526 . . . . 0.0 110.129 173.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 HD11 ' HG2' ' A' ' 81' ' ' ARG . 4.5 mp -60.88 -32.85 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.82 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 82' ' ' GLN . 56.6 t -65.88 -51.59 59.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.558 0.218 . . . . 0.0 111.074 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.44 -49.16 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.607 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 84' ' ' TRP . 25.1 mt -72.2 -37.02 69.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.049 0.452 . . . . 0.0 110.681 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.17 74.62 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.889 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -57.12 -41.23 78.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.417 ' HG ' HD12 ' A' ' 95' ' ' LEU . 33.5 t -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.781 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 22.1 ttpt -58.06 -40.55 81.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.023 0.439 . . . . 0.0 111.547 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.08 95.28 2.52 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.131 -177.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.6 t 69.69 78.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.779 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 1.041 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 13.5 tp -107.96 -168.36 1.36 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.052 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.585 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -73.19 177.86 4.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.998 0.428 . . . . 0.0 112.017 177.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.54 167.22 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.089 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.0 p 55.76 75.84 0.31 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.979 0.912 . . . . 0.0 112.728 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 1.041 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 77.2 mtm180 -120.12 123.11 42.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.623 173.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.253 1.274 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.264 -179.026 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.886 0 N-CA-C 112.066 -0.413 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -83.9 123.1 3.13 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.877 2.385 . . . . 0.0 111.954 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' -5' ' ' LEU . 90.7 mt -117.25 92.16 3.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 -178.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -54.97 4.52 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.879 -177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 9.0 p -71.63 145.49 89.96 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.543 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.44 142.36 54.01 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.508 2.139 . . . . 0.0 111.838 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.17 142.61 41.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.296 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -122.77 120.96 35.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.739 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.44 145.89 37.57 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.047 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -157.6 149.14 21.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.735 0.302 . . . . 0.0 110.274 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.38 -167.96 35.79 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.46 ' C ' HD23 ' A' ' 5' ' ' LEU . 1.3 m -113.75 160.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 117.636 0.718 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -135.29 158.45 44.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.933 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.709 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -71.39 99.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -98.62 118.28 34.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -69.8 132.21 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.597 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -116.2 -73.03 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.068 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -143.33 161.53 38.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -63.42 -26.26 68.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.832 0.349 . . . . 0.0 111.086 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.78 -41.57 62.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.39 . . . . 0.0 111.462 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -88.59 -24.12 22.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.992 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.2 -116.2 4.27 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.143 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.1 p-90 -111.0 144.95 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.833 0.349 . . . . 0.0 110.169 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -131.56 124.01 19.76 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.94 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.9 130.2 28.5 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.337 2.025 . . . . 0.0 111.524 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -132.82 150.71 52.13 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.424 ' H ' ' HD3' ' A' ' 18' ' ' ARG . 49.2 t-105 -94.21 126.2 39.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.22 0.533 . . . . 0.0 110.503 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CD1' HD22 ' A' ' 5' ' ' LEU . 96.3 m-85 -126.04 148.52 49.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.851 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.403 ' O ' HD21 ' A' ' 27' ' ' LEU . 31.3 m -131.34 135.8 58.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 3.1 tm? -103.12 119.79 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 174.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 107.72 5.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.659 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.5 39.27 30.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.979 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 -3.16 82.1 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.728 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mm -107.57 131.46 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.788 0.328 . . . . 0.0 110.17 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD23 HD21 ' A' ' 22' ' ' LEU . 2.1 tm? -108.25 109.87 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -109.79 144.5 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.79 0.328 . . . . 0.0 111.017 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -106.98 140.02 40.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.156 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 71.6 m-85 -138.23 156.23 47.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.146 0.498 . . . . 0.0 110.535 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -75.99 -28.29 57.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.086 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 40.5 p -158.47 178.39 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -66.28 -31.97 73.09 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.407 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB3' ' H ' ' A' ' 32' ' ' SER . 31.9 t70 -68.68 -19.36 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.599 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 92.8 t -62.56 -38.12 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.7 t -67.55 -23.63 65.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.003 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -66.39 -41.09 89.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.77 90.46 0.67 Allowed Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.384 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -63.83 140.17 58.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 110.998 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 8.1 mptt -84.54 7.34 20.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.369 0.604 . . . . 0.0 110.718 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.71 126.19 5.22 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.189 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.7 m -145.03 171.96 13.74 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 71.8 mt -110.8 121.18 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.052 0.453 . . . . 0.0 109.937 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -85.5 112.2 20.69 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.014 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.7 ' O ' HD21 ' A' ' 95' ' ' LEU . 90.6 mmm -66.83 -28.08 68.07 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.359 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.899 ' HA ' HD12 ' A' ' 95' ' ' LEU . . . -64.0 -15.53 59.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.743 0.306 . . . . 0.0 111.526 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.775 HG12 HD13 ' A' ' 65' ' ' ILE . 9.3 p -125.44 4.85 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.622 0.725 . . . . 0.0 110.057 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.779 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 18.7 t -125.39 128.32 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.607 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB2' HG21 ' A' ' 64' ' ' ILE . 8.1 mt-10 -89.31 132.89 34.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.459 0.647 . . . . 0.0 111.314 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.584 HG13 HG22 ' A' ' 53' ' ' VAL . 1.7 tp -97.64 123.02 49.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 168.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 9.5 mmmm -84.99 108.12 17.45 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.841 -171.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.584 HG22 HG13 ' A' ' 51' ' ' ILE . 94.0 t -135.21 104.62 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.867 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 25.6 t-80 174.96 -46.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.212 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -107.18 19.56 20.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.212 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.23 151.96 20.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.156 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -100.05 -155.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -58.84 132.75 54.88 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 171.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.889 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 19.8 p 57.19 -149.44 0.46 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 123.714 0.634 . . . . 0.0 110.884 -176.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.521 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 17.2 ptt180 36.01 99.86 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.653 ' HG3' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -138.69 157.54 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.597 173.266 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -111.02 143.86 41.05 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.996 0.427 . . . . 0.0 111.789 -167.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD12 ' HG ' ' A' ' 49' ' ' CYS . 4.6 mm? -117.1 122.13 43.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.49 174.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.52 HG21 ' HB2' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -123.67 115.73 46.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.798 0.809 . . . . 0.0 110.791 -178.69 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.779 ' HB ' ' HB2' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -133.09 119.13 15.49 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.141 -177.439 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD2' HD11 ' A' ' 65' ' ' ILE . 39.5 Cg_exo -60.29 108.39 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.206 1.938 . . . . 0.0 111.823 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.24 -66.3 0.51 Allowed Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.993 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -97.9 -63.02 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.431 ' H ' HG22 ' A' ' 65' ' ' ILE . 12.2 pt20 49.22 -168.65 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.462 1.105 . . . . 0.0 113.092 176.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 64.93 27.87 12.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.321 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -93.73 111.49 23.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.405 0.622 . . . . 0.0 110.349 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.61 121.13 44.36 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.472 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 76.5 mtp -121.67 137.07 54.9 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.044 0.45 . . . . 0.0 109.951 -175.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.709 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 40.2 ttmt -132.27 129.46 39.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.23 177.33 6.91 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.261 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.854 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 63.7 t -58.67 -59.09 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -136.99 176.8 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.187 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -51.06 -42.99 60.9 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 83' ' ' ARG . . . -64.33 -41.97 96.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.958 0.408 . . . . 0.0 110.997 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.854 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 22.0 mm-40 -61.43 -39.62 91.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.468 0.652 . . . . 0.0 110.072 176.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.889 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.2 ttp180 -58.54 -44.28 89.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.73 174.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.529 ' O ' HG21 ' A' ' 86' ' ' VAL . 26.3 tp60 -62.27 -32.86 73.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.806 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' ALA . 54.2 mtp180 -63.03 -45.89 90.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.287 0.565 . . . . 0.0 110.726 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.458 ' HB3' HD11 ' A' ' 88' ' ' LEU . 97.0 m95 -67.82 -36.38 80.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.653 HD12 ' HG3' ' A' ' 61' ' ' MET . 5.9 mp -66.98 -30.24 70.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.797 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 82' ' ' GLN . 55.1 t -64.2 -51.25 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.964 -0.46 . . . . 0.0 111.011 172.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.72 -49.18 41.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 111.337 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 84' ' ' TRP . 30.6 mt -73.29 -39.31 65.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.639 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 85' ' ' LEU . . . -65.25 -29.57 75.61 Favored Glycine 0 CA--C 1.511 -0.201 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.169 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.0 p -60.47 -31.34 70.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.314 0.578 . . . . 0.0 109.495 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 22.7 t -70.68 -36.24 73.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.695 174.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -68.91 -22.9 64.13 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.085 0.469 . . . . 0.0 110.474 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.07 106.49 6.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.461 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.1 p 49.81 72.48 0.32 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.489 0.716 . . . . 0.0 111.888 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.899 HD12 ' HA ' ' A' ' 47' ' ' ALA . 13.7 tp -98.04 158.92 15.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.888 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 p -75.4 159.52 31.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.35 -0.386 . . . . 0.0 112.003 -177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 t70 71.23 169.88 0.32 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.987 0.804 . . . . 0.0 110.88 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.0 p -74.68 125.6 29.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.526 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -99.15 149.28 23.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.971 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.381 -0.818 . . . . 0.0 110.86 -178.494 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.674 ' CB ' ' HG2' ' A' ' -1' ' ' GLU . 6.8 Cg_exo -72.64 78.86 1.98 Allowed 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.069 2.513 . . . . 0.0 111.718 -179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -123.56 118.81 28.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.579 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 86.69 -55.16 4.66 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.31 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.5 m -89.35 140.43 28.56 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.67 151.8 67.45 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.931 2.421 . . . . 0.0 111.993 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.674 ' HG2' ' CB ' ' A' ' -6' ' ' PRO . 4.9 mt-10 -78.68 79.58 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.114 -177.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 76.3 t80 -123.75 123.25 40.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.644 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt -140.21 144.58 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.829 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.629 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -148.23 158.43 44.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.915 0.388 . . . . 0.0 111.617 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.27 -167.44 32.9 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.501 ' C ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -115.88 159.39 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.771 0.786 . . . . 0.0 110.932 179.143 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -134.96 154.08 51.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.372 177.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.636 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 2.8 m-85 -72.47 101.56 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.004 174.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 20.4 tptm -102.44 119.77 39.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.846 0.355 . . . . 0.0 110.646 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.427 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 65.7 t-105 -69.39 132.73 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 p -116.28 -72.54 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.76 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -136.11 156.8 48.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -67.19 -22.64 65.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.884 0.373 . . . . 0.0 110.566 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.85 -41.69 64.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -91.26 -24.66 19.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.16 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.75 -124.4 6.49 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.483 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.6 p-90 -101.57 145.7 28.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -131.37 123.89 19.86 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.095 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.86 125.57 13.92 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.451 2.101 . . . . 0.0 111.94 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 8.8 mmt180 -124.36 151.37 44.45 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.072 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -93.79 119.85 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.072 0.463 . . . . 0.0 109.889 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.3 m-85 -117.77 150.4 39.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.706 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.629 HG13 ' HB3' ' A' ' 2' ' ' GLU . 34.2 m -133.45 134.43 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.918 0.39 . . . . 0.0 110.328 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.669 HD23 HD22 ' A' ' 27' ' ' LEU . 2.9 tm? -104.52 119.66 39.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.89 115.81 7.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 54.46 40.83 32.1 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.46 174.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.4 3.73 86.58 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.145 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -113.2 129.96 67.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.339 -0.506 . . . . 0.0 110.575 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.669 HD22 HD23 ' A' ' 22' ' ' LEU . 2.4 tm? -107.2 110.62 22.73 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -109.95 145.22 37.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.327 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -111.25 138.28 47.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.339 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 36' ' ' VAL . 97.0 m-85 -129.1 178.1 6.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.98 -38.53 32.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.344 0.592 . . . . 0.0 110.001 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 36' ' ' VAL . 13.5 p -169.75 -174.5 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.871 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.1 -39.22 94.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.54 -36.64 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.243 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.8 -19.5 60.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.581 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.551 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 92.5 t -64.13 -40.61 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.777 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.9 t -64.37 -25.89 68.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.45 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -76.96 -58.73 3.12 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.058 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.98 127.01 3.3 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.256 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.5 m -64.58 143.21 58.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.117 0.484 . . . . 0.0 111.225 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.584 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.5 mptt -85.97 -6.13 59.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.45 0.643 . . . . 0.0 109.803 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.29 142.97 10.14 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.576 176.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 m -142.02 166.15 25.5 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.225 0.512 . . . . 0.0 110.274 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.72 120.11 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 110.223 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.19 117.23 21.55 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.165 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.663 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.8 mtp -65.23 -30.24 71.11 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.651 0.262 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.886 ' HA ' HD13 ' A' ' 95' ' ' LEU . . . -69.69 -10.21 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.827 HG13 HD11 ' A' ' 65' ' ' ILE . 7.3 p -125.36 0.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 109.913 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.751 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.1 t -130.82 123.81 29.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.146 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' HB2' HG21 ' A' ' 64' ' ' ILE . 36.1 mt-10 -87.71 140.44 29.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.398 0.618 . . . . 0.0 110.588 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.685 HG22 ' HB2' ' A' ' 92' ' ' LYS . 2.0 tp -99.78 121.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 171.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 64' ' ' ILE . 21.5 mmtp -84.23 108.81 17.32 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -172.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.58 HG22 HG13 ' A' ' 51' ' ' ILE . 55.2 t -126.56 119.36 53.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.364 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -129.38 120.29 25.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.812 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m 56.25 -160.85 0.2 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.956 0.785 . . . . 0.0 111.552 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.478 ' HA ' HH12 ' A' ' 81' ' ' ARG . . . -115.06 63.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.915 177.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . 14.7 m-20 -81.68 -162.38 0.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.738 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' A' ' 81' ' ' ARG . 11.8 m120 -82.45 -156.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.945 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' A' ' 74' ' ' LYS . 38.9 p -68.45 102.89 1.52 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.939 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' HD2' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -166.48 94.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.775 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.5 ' SD ' ' HG2' ' A' ' 81' ' ' ARG . 1.7 mpp? -136.29 148.06 47.79 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.967 0.413 . . . . 0.0 110.597 176.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.2 tt0 -120.27 142.77 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.413 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.49 122.23 46.61 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.661 HG23 ' HE3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -125.26 115.1 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.459 0.647 . . . . 0.0 111.199 -176.696 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.827 HD11 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.12 116.55 18.89 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.662 178.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.665 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.8 Cg_exo -54.02 123.14 12.76 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.345 2.696 . . . . 0.0 113.171 -173.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.98 -54.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -99.8 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 43.92 -154.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.9 t60 69.85 39.76 1.4 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.756 0.789 . . . . 0.0 109.329 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -115.22 112.15 22.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -108.54 134.3 51.5 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.605 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 87.3 mtp -131.23 135.96 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 17.2 ttpp -135.64 126.49 27.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HB2' HG21 ' A' ' 59' ' ' THR . . . -76.5 178.6 6.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.583 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.736 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.9 t -63.44 -60.91 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.621 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -138.77 171.22 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.08 -40.13 22.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -174.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.88 97.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.054 0.454 . . . . 0.0 111.324 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.736 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 57.1 mm-40 -63.23 -36.33 83.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.615 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.5 ' HG2' ' SD ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -57.28 -41.8 80.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.769 174.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.9 tp60 -67.82 -33.53 74.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.844 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.1 -44.78 95.91 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.307 0.575 . . . . 0.0 110.777 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.561 ' HB3' HD11 ' A' ' 88' ' ' LEU . 91.2 m95 -68.37 -35.52 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.1 mp -61.82 -32.16 72.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.494 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.5 t -63.28 -51.41 71.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.625 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.42 -50.43 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.557 -0.457 . . . . 0.0 112.078 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 84' ' ' TRP . 29.1 mt -72.96 -43.04 62.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.601 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.23 -30.17 73.2 Favored Glycine 0 C--O 1.234 0.147 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.733 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.2 t -57.57 -42.63 83.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.545 ' HG ' HD11 ' A' ' 95' ' ' LEU . 35.8 t -69.71 -33.12 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.901 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.685 ' HB2' HG22 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -66.08 -33.44 75.8 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-O 121.431 0.634 . . . . 0.0 110.402 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.72 97.84 6.75 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.094 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.0 t 68.23 65.41 0.34 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.55 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.886 HD13 ' HA ' ' A' ' 47' ' ' ALA . 20.5 tp -90.61 167.54 12.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.201 -179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 p -75.33 164.93 25.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.845 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 t0 68.34 172.32 0.28 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.73 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.6 p -80.22 88.42 5.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.556 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.507 ' HD2' ' HB3' ' A' ' 95' ' ' LEU . 61.3 mtp180 -58.93 143.62 47.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.246 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.822 -177.296 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.954 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.72 148.48 87.74 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.956 2.437 . . . . 0.0 111.782 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 54.2 tp -69.65 105.97 2.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.121 0.486 . . . . 0.0 110.994 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 83.95 -80.95 1.78 Allowed Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.675 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.617 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 56.4 m -160.3 -52.77 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 122.623 0.369 . . . . 0.0 111.132 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.617 ' HD3' ' HB2' ' A' ' -3' ' ' SER . 35.2 Cg_exo -61.53 111.28 1.11 Allowed 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.001 1.801 . . . . 0.0 111.846 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.02 80.07 9.41 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.078 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -103.84 123.06 46.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.351 0.596 . . . . 0.0 110.989 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.95 144.55 35.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.883 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.3 153.17 35.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.649 0.262 . . . . 0.0 110.661 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.66 -161.27 33.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.885 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.658 ' CG1' ' HB2' ' A' ' 17' ' ' PRO . 2.2 t -121.46 133.95 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.707 0.289 . . . . 0.0 110.964 -174.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.463 HD23 ' CE2' ' A' ' 84' ' ' TRP . 3.4 mm? -120.49 152.61 37.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.665 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.6 m-85 -71.8 99.04 2.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.457 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -98.76 115.73 29.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.132 0.491 . . . . 0.0 110.046 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -71.63 135.18 46.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.014 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 p -112.53 -85.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.17 176.97 7.93 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -75.34 -32.1 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.508 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.75 -40.9 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 111.396 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.6 p -85.75 -25.35 26.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.748 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.43 -126.75 7.76 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.383 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.661 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.5 p-90 -108.49 148.82 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -130.86 125.93 21.53 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.658 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 91.5 Cg_endo -72.64 99.15 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.026 1.818 . . . . 0.0 111.51 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -90.35 152.79 20.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.736 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -93.63 116.91 29.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' HB2' HD21 ' A' ' 5' ' ' LEU . 89.0 m-85 -111.69 149.3 31.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.23 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' O ' HD23 ' A' ' 27' ' ' LEU . 34.4 m -134.16 135.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.521 176.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.678 HD21 HD22 ' A' ' 27' ' ' LEU . 2.5 tm? -103.75 121.3 42.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -145.42 110.06 5.05 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.403 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.32 52.42 11.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.567 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.24 3.59 76.78 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.525 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -115.58 132.43 65.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 122.411 -0.464 . . . . 0.0 110.585 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.678 HD22 HD21 ' A' ' 22' ' ' LEU . 2.9 tm? -110.82 110.83 21.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 m -110.34 148.64 31.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.84 0.352 . . . . 0.0 110.98 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -115.27 136.0 53.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.6 m-85 -130.68 166.82 19.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.567 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.25 -38.62 75.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.8 m -165.79 -176.24 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' HA ' HG21 ' A' ' 36' ' ' VAL . 36.8 tt0 -64.4 -36.64 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.098 0.408 . . . . 0.0 110.495 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.13 -33.03 71.58 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 110.958 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.473 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 34.4 t70 -78.19 -15.51 58.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.623 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 71.1 t -63.12 -35.65 72.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.42 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.46 -21.13 64.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.681 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 27.6 mmtm -71.04 -30.59 66.81 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.99 107.27 0.12 Allowed Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.577 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.2 p -72.07 134.39 45.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.764 0.316 . . . . 0.0 110.719 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.539 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 8.2 mptt -83.46 -18.71 37.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.533 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.51 97.68 0.81 Allowed Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.844 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.9 m -109.9 166.83 10.63 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.0 mt -111.12 122.37 65.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 110.485 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -81.12 115.49 20.58 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.641 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.553 ' HB3' ' HG ' ' A' ' 91' ' ' SER . 1.5 mtp -65.29 -28.43 69.32 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.883 ' HA ' HD12 ' A' ' 95' ' ' LEU . . . -70.68 -10.55 59.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.797 HG11 HD12 ' A' ' 65' ' ' ILE . 9.9 p -125.39 0.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.594 0.712 . . . . 0.0 109.975 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.703 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -126.79 130.46 50.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.646 -175.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.645 ' HB2' HG22 ' A' ' 64' ' ' ILE . 39.5 mt-10 -88.37 134.31 33.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.17 0.509 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.571 HG13 HG21 ' A' ' 53' ' ' VAL . 2.3 tp -99.11 118.95 46.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 168.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 11.5 mmmm -83.69 106.86 15.74 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.67 0.748 . . . . 0.0 109.72 -170.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.571 HG21 HG13 ' A' ' 51' ' ' ILE . 77.7 t -137.54 108.28 5.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.321 -1.308 . . . . 0.0 108.741 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -141.46 45.94 1.72 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.196 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.9 m 53.46 56.95 6.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.84 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.96 -168.73 2.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.616 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' HB2' ' HG3' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -71.58 -166.25 0.19 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.379 0.609 . . . . 0.0 111.093 -177.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.93 127.32 32.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.549 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.6 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.6 p 52.8 55.66 8.68 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.706 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' A' ' 57' ' ' ASP . 12.2 mmm180 -124.34 97.06 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.579 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.413 ' HG2' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -140.49 149.59 42.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.773 178.49 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 21.3 tt0 -131.43 140.05 49.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.996 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 51' ' ' ILE . 3.6 mm? -109.64 120.76 43.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.688 ' HA ' ' HG3' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -124.84 115.07 43.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.743 0.782 . . . . 0.0 111.325 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.797 HD12 HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -125.76 118.28 24.3 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.096 177.204 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.68 ' HD2' HD13 ' A' ' 65' ' ' ILE . 76.3 Cg_exo -51.71 125.92 18.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.099 2.532 . . . . 0.0 113.068 -174.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.85 -46.48 1.22 Allowed Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.07 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -100.88 -89.31 0.35 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.622 0.248 . . . . 0.0 110.613 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.688 ' HG3' ' HA ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER 56.65 -145.33 0.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.264 177.049 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.643 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 14.3 t-160 61.59 34.16 17.9 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.49 0.716 . . . . 0.0 109.9 -172.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.93 112.05 23.25 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.434 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -110.37 138.48 46.7 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.8 mtt -122.45 137.56 54.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.362 0.601 . . . . 0.0 111.755 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 56.9 tttm -139.73 126.55 20.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 168.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' A' ' 59' ' ' THR . . . -84.55 -177.95 6.75 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.204 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.887 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.4 t -62.15 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.19 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 32.4 p30 -136.94 172.77 12.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.331 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -45.44 -43.44 11.38 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.12 95.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.958 0.409 . . . . 0.0 111.089 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.887 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 14.0 mm-40 -61.53 -40.34 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.467 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.6 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 25.3 ttp180 -57.67 -42.92 84.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.625 175.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.8 tp60 -64.51 -35.16 80.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.134 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -64.4 -44.84 90.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.558 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.3 m95 -67.14 -37.5 83.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.265 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 HD11 ' O ' ' A' ' 81' ' ' ARG . 4.6 mp -60.59 -33.15 72.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.419 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.6 t -64.09 -51.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.054 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -49.9 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.078 0.466 . . . . 0.0 111.676 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 84' ' ' TRP . 28.4 mt -72.78 -44.16 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.636 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.7 86.29 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.751 -174.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.2 t -64.59 -27.68 69.11 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.553 ' HG ' ' HB3' ' A' ' 46' ' ' MET . 14.1 t -69.85 -42.83 73.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.133 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -60.89 -30.87 70.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.317 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.45 101.7 0.35 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.296 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.8 m 60.9 41.74 13.93 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.797 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 47' ' ' ALA . 50.1 tp -69.7 154.18 42.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.88 176.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 p -73.67 164.68 26.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -176.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t70 71.54 175.39 0.29 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.913 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.0 p -77.65 93.7 4.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.607 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.879 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 38.3 mtm180 -88.31 168.11 12.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.144 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.789 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.72 110.68 1.33 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.989 2.459 . . . . 0.0 112.29 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.9 127.71 33.07 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.98 -57.65 4.83 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.084 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 24.3 m -74.33 143.16 79.38 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 2.9 Cg_exo -75.27 40.77 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.493 2.796 . . . . 0.0 113.444 -174.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 47.11 60.64 3.3 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.597 0.713 . . . . 0.0 111.503 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 35.1 t80 -126.21 133.16 51.6 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.605 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt -137.21 139.9 41.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.879 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -139.96 147.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.498 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.65 -178.88 28.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -106.38 156.52 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 117.259 0.53 . . . . 0.0 110.486 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.661 ' HG ' ' HE3' ' A' ' 73' ' ' MET . 3.6 mm? -133.92 158.37 43.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.178 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.702 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.45 124.08 23.33 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.304 173.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -119.49 116.57 26.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -70.97 122.68 20.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -103.63 -79.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.914 0.387 . . . . 0.0 110.99 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.41 162.87 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -65.25 -26.85 68.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.596 0.236 . . . . 0.0 111.242 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.48 -41.97 62.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.597 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -86.01 -28.02 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.841 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.75 -86.8 1.51 Allowed Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.525 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.8 p-90 -152.99 154.19 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.612 0.244 . . . . 0.0 110.353 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -131.8 123.44 19.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.381 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.03 114.98 2.68 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.722 2.281 . . . . 0.0 112.093 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 13.0 mmm180 -110.9 154.29 24.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.825 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -94.05 122.43 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.3 147.59 44.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.139 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.24 136.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 HD21 HD22 ' A' ' 27' ' ' LEU . 2.7 tm? -101.98 119.96 39.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -139.9 108.19 5.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 52.12 60.91 3.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.643 173.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.82 -5.36 48.07 Favored Glycine 0 N--CA 1.454 -0.122 0 CA-C-N 116.164 -0.471 . . . . 0.0 113.876 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mm -111.64 133.15 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.961 0.41 . . . . 0.0 110.677 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 22' ' ' LEU . 2.7 tm? -108.69 111.02 22.59 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -107.44 146.16 32.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.841 0.353 . . . . 0.0 110.979 -176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -115.0 135.55 54.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.674 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -130.77 161.28 32.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.743 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.73 -25.61 37.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.651 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 t -160.24 -174.07 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.636 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.58 -48.06 35.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.824 0.345 . . . . 0.0 110.75 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.17 -23.99 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.391 0.615 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 34.0 t70 -66.31 -21.59 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.676 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.69 -34.74 63.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.867 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.0 m -73.84 -21.65 60.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -176.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 46.4 mmtt -65.66 -46.63 78.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.173 0.511 . . . . 0.0 110.856 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.58 114.57 3.85 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.43 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 p -87.46 138.19 31.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.432 . . . . 0.0 110.968 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -90.98 -24.85 19.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.536 0.684 . . . . 0.0 109.531 174.703 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.87 130.9 10.38 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.25 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -151.36 173.52 14.42 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.7 120.61 61.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.441 0.639 . . . . 0.0 110.372 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -83.0 108.7 16.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.641 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.63 -27.59 69.34 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.592 ' HA ' HD22 ' A' ' 95' ' ' LEU . . . -65.88 -15.58 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.842 HG11 HD12 ' A' ' 65' ' ' ILE . 8.0 p -124.95 1.29 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.139 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.7 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.3 t -126.88 127.69 45.33 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.405 -176.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.649 ' HB2' HG21 ' A' ' 64' ' ' ILE . 27.7 mt-10 -88.41 137.32 32.43 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.499 0.666 . . . . 0.0 111.252 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.609 HG13 HG21 ' A' ' 53' ' ' VAL . 2.3 tp -98.86 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HE2' HG23 ' A' ' 64' ' ' ILE . 31.2 mmtt -84.05 108.34 16.94 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.424 0.631 . . . . 0.0 110.143 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.609 HG21 HG13 ' A' ' 51' ' ' ILE . 87.6 t -135.18 130.06 51.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.173 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -168.99 -41.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.399 . . . . 0.0 110.476 -175.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -110.49 145.2 38.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.976 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.16 55.61 0.8 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.942 0.401 . . . . 0.0 111.669 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.97 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 9.5 m-20 -84.58 175.3 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -73.27 107.63 5.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.596 ' HB ' ' HG3' ' A' ' 74' ' ' LYS . 72.6 p 52.08 78.8 0.12 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.648 0.779 . . . . 0.0 112.765 175.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.97 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -145.31 97.4 2.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 111.455 -178.14 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.563 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.2 mpp? -140.84 156.35 46.15 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.152 -0.342 . . . . 0.0 110.344 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -134.23 137.92 44.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.322 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.6 mm? -108.38 120.93 43.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.668 HG23 ' HE2' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -122.93 116.01 47.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.485 0.659 . . . . 0.0 110.976 -177.769 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.842 HD12 HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.7 119.2 14.87 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.883 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.6 ' HD2' HD13 ' A' ' 65' ' ' ILE . 31.6 Cg_exo -59.59 110.77 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.618 2.212 . . . . 0.0 111.927 -179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.95 -62.52 0.6 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -99.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.411 ' H ' HG21 ' A' ' 65' ' ' ILE . 2.7 pt20 47.61 -165.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.438 1.095 . . . . 0.0 112.969 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 65.55 36.69 6.42 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.872 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 85.5 m-85 -103.37 111.68 24.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.646 175.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.468 ' CD1' ' HE2' ' A' ' 6' ' ' TYR . 10.6 t80 -99.11 139.26 35.01 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.661 ' HE3' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -120.2 135.43 54.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -175.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 83.7 tttt -147.54 120.84 8.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.5 -174.92 5.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.325 -176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.939 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 78.4 t -63.35 -57.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.489 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.0 p30 -142.63 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.167 177.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.02 -43.78 14.67 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.25 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.033 0.444 . . . . 0.0 111.201 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.939 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 7.5 mm-40 -61.37 -38.81 88.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.287 176.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.59 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.1 ttp180 -57.64 -41.23 80.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.787 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' O ' HG22 ' A' ' 86' ' ' VAL . 28.9 tp60 -65.17 -34.52 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 69.2 mtt180 -67.67 -43.83 79.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 111.306 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.515 ' CE2' HD21 ' A' ' 5' ' ' LEU . 95.2 m95 -67.21 -34.84 78.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 109.975 174.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 81' ' ' ARG . 4.8 mp -60.87 -33.21 72.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.624 175.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 82' ' ' GLN . 57.7 t -64.97 -51.79 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.229 176.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.6 -50.75 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.978 0.418 . . . . 0.0 111.766 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 84' ' ' TRP . 26.8 mt -74.96 -45.38 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.161 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.55 84.59 Favored Glycine 0 C--O 1.233 0.08 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.266 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 p -67.32 -25.53 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 110.45 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 35.1 t -67.22 -38.39 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.107 176.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -68.11 -29.32 68.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.848 0.356 . . . . 0.0 111.04 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.53 88.45 2.14 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t 69.69 74.35 0.23 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.171 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.872 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 15.3 tp -103.76 -171.83 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.949 -178.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.63 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -60.12 173.4 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.252 0.549 . . . . 0.0 112.294 178.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -68.83 179.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.81 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.3 p 51.48 51.56 16.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.204 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.872 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 45.1 mtm180 -93.63 143.19 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.814 175.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.246 0.886 0 O-C-N 123.807 0.692 . . . . 0.0 110.672 -177.756 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . 0.414 ' HA2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.495 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 15.8 Cg_exo -68.8 99.56 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 123.101 2.534 . . . . 0.0 111.905 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -130.67 113.42 14.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.122 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 81.22 -61.66 4.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.158 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 49.1 m -65.82 144.42 98.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 122.49 0.316 . . . . 0.0 111.072 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.43 130.01 33.8 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.061 2.507 . . . . 0.0 112.237 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.498 ' OE1' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -79.87 105.81 11.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.84 -177.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -125.77 122.13 35.32 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.045 0.45 . . . . 0.0 110.349 173.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.11 137.58 34.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -148.66 151.45 34.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.644 0.259 . . . . 0.0 110.694 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.12 -176.62 36.8 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.501 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.73 152.15 9.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 117.576 0.688 . . . . 0.0 110.23 179.543 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.603 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -132.06 157.97 42.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.691 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -75.17 98.51 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.18 176.185 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 18.0 tptm -98.51 116.71 31.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.03 0.443 . . . . 0.0 110.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.44 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 46.8 t-105 -64.88 124.33 21.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.471 173.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -108.15 -73.03 0.7 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -134.31 161.56 34.63 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -66.48 -23.83 66.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.94 -41.66 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.227 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -90.36 -25.73 20.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.748 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.9 -91.42 1.5 Allowed Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.691 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.7 p-90 -136.56 151.86 49.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.776 0.322 . . . . 0.0 110.391 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -131.35 123.39 19.56 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.365 174.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.41 95.72 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.51 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.3 tpp180 -108.27 160.46 15.83 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -93.36 124.41 37.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 -171.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 80.4 m-85 -121.12 148.2 44.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.672 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' HE1' ' A' ' 30' ' ' TYR . 29.6 m -136.02 138.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.744 HD22 HD21 ' A' ' 27' ' ' LEU . 1.1 tm? -102.04 120.56 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -136.19 107.98 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.406 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 52.72 46.63 26.36 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.038 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.92 -1.76 86.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.125 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.19 128.2 70.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 122.42 -0.459 . . . . 0.0 110.389 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.744 HD21 HD22 ' A' ' 22' ' ' LEU . 3.1 tm? -100.78 110.46 22.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.7 m -111.9 139.76 47.11 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.687 -175.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 33.0 p90 -107.59 138.95 42.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.618 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 90.1 m-85 -128.35 164.73 22.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.775 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.51 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 22.4 t70 -70.86 -36.71 72.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.214 0.531 . . . . 0.0 110.086 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 22.7 t -153.71 -175.07 5.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.786 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -72.75 -40.58 65.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.838 0.352 . . . . 0.0 110.289 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.67 -27.34 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.418 0.628 . . . . 0.0 110.76 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.559 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 37.4 t70 -68.32 -20.72 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.645 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.618 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 99.2 t -58.57 -38.0 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.76 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.49 -21.54 62.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.22 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 25.3 mmtt -76.87 -19.74 57.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.977 0.418 . . . . 0.0 111.048 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.68 119.29 1.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.102 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.401 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 6.4 p -74.06 136.52 43.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.007 0.432 . . . . 0.0 111.562 -177.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.3 mptt -95.66 -1.72 49.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.513 0.673 . . . . 0.0 109.48 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.0 104.25 0.54 Allowed Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.689 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 m -128.09 152.61 47.77 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.23 122.26 65.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.321 0.582 . . . . 0.0 110.747 -175.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -81.09 115.6 20.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.404 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.601 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.4 mtp -65.12 -30.92 71.89 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 111.19 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HA ' HD12 ' A' ' 95' ' ' LEU . . . -67.14 -10.27 48.46 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.923 HG12 HD13 ' A' ' 65' ' ' ILE . 9.8 p -125.87 2.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.701 0.762 . . . . 0.0 110.159 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.584 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.5 t -124.54 129.77 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.511 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.68 129.46 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.963 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.637 HG13 HG22 ' A' ' 53' ' ' VAL . 1.9 tp -98.41 115.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 170.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -85.35 107.52 17.39 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.921 -0.711 . . . . 0.0 109.431 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 51' ' ' ILE . 78.9 t -137.98 108.25 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.304 -175.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -164.24 -75.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.953 0.406 . . . . 0.0 110.491 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 m -91.92 43.18 1.13 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.304 0.573 . . . . 0.0 110.738 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.993 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . . . -147.54 95.69 2.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.285 -174.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.659 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 4.4 t70 -110.51 35.64 3.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 111.271 -175.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.679 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 51.8 t-20 -164.23 88.38 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.993 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.722 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 30.2 p 59.67 5.98 0.77 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.629 1.172 . . . . 0.0 114.017 173.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.993 ' HB2' ' HB3' ' A' ' 56' ' ' ALA . 66.4 mtp180 -96.36 106.65 18.91 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.857 -0.527 . . . . 0.0 110.899 -173.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.609 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 0.3 OUTLIER -142.71 148.66 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.241 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.8 141.58 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.539 0.209 . . . . 0.0 110.589 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.421 HD11 ' SG ' ' A' ' 49' ' ' CYS . 4.5 mm? -113.96 121.37 43.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.73 116.04 46.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.503 0.668 . . . . 0.0 111.129 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.923 HD13 HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.82 116.09 16.96 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 114.847 -1.07 . . . . 0.0 108.955 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.576 ' HD2' HD11 ' A' ' 65' ' ' ILE . 50.9 Cg_exo -54.29 116.65 3.21 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.073 2.516 . . . . 0.0 112.669 -176.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.24 -60.83 0.58 Allowed Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.324 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.62 -68.53 0.8 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 13.7 pt20 46.73 -165.44 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.458 1.103 . . . . 0.0 113.736 172.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.1 t60 67.63 32.93 5.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.981 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -100.8 112.87 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.924 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -94.08 140.52 29.64 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.609 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 1.3 tpt -121.52 137.08 54.88 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 35.3 tttp -153.24 122.66 6.69 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.25 7.85 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.481 -177.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 66.4 t -56.57 -55.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.092 0.472 . . . . 0.0 110.772 -179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.444 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -140.38 174.01 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.263 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -53.29 -40.71 64.94 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.64 96.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 50.7 mm-40 -62.72 -34.37 77.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.705 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.722 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -57.05 -42.49 80.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.717 172.568 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.502 ' O ' HG22 ' A' ' 86' ' ' VAL . 26.6 tp60 -62.63 -33.82 75.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 -177.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.19 -45.79 86.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.185 0.516 . . . . 0.0 110.474 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.621 ' HB3' HD13 ' A' ' 88' ' ' LEU . 96.1 m95 -67.33 -36.01 80.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.036 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.486 HD12 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -61.45 -32.19 72.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.604 177.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 82' ' ' GLN . 53.8 t -64.13 -51.76 64.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.994 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.79 21.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.107 0.48 . . . . 0.0 111.803 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 84' ' ' TRP . 28.5 mt -72.2 -43.64 64.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.51 -29.71 75.9 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.425 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.8 t -60.74 -32.27 71.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.3 t -70.34 -38.44 74.87 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.442 176.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.589 ' HD2' ' O ' ' A' ' 51' ' ' ILE . 20.7 tttp -63.7 -22.13 66.74 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.75 98.48 1.54 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.776 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 p 49.69 75.2 0.17 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.651 0.739 . . . . 0.0 112.137 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 46' ' ' MET . 14.1 tp -93.27 145.88 24.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.025 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.6 p -76.19 162.43 27.97 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 67.01 -169.93 0.2 Allowed 'General case' 0 N--CA 1.473 0.683 0 O-C-N 124.28 0.988 . . . . 0.0 111.692 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.7 p -59.36 149.33 29.39 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.233 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -158.13 128.77 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.659 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.8 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.338 177.359 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . 0.447 ' HA2' ' HD3' ' A' ' -6' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . 0.447 ' HD3' ' HA2' ' A' ' -7' ' ' GLY . 16.9 Cg_exo -71.09 152.51 62.47 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.408 2.739 . . . . 0.0 112.146 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -86.98 102.82 14.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -76.02 2.09 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.48 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.563 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 49.7 m -148.68 -44.92 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.563 ' HD2' ' H ' ' A' ' -3' ' ' SER . 75.7 Cg_exo -51.9 105.41 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.247 1.965 . . . . 0.0 113.423 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -111.93 71.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -126.06 132.71 51.89 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.249 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt -140.02 140.06 36.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.137 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.23 155.36 49.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.808 0.337 . . . . 0.0 110.599 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.12 29.63 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.469 ' C ' HD21 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.6 159.62 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.119 0.46 . . . . 0.0 110.398 179.041 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD21 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -135.07 152.63 51.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.494 -0.775 . . . . 0.0 108.955 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.691 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.53 119.83 15.27 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 170.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -110.47 118.74 37.07 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.517 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -73.07 105.46 4.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -83.75 -75.04 0.35 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.095 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -142.17 158.59 43.56 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -67.14 -20.08 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.109 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.2 -40.55 64.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.024 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p -84.89 -44.77 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.14 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.41 -123.92 8.08 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.864 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.65 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -104.77 133.88 48.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 -178.574 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -131.0 124.32 20.51 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.05 129.78 14.61 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.496 2.131 . . . . 0.0 112.279 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 31.0 mmt180 -131.18 159.9 36.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.248 176.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -94.38 126.59 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 110.47 -173.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 94.9 m-85 -127.54 145.92 50.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.754 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.4 m -135.81 138.07 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.763 0.316 . . . . 0.0 110.471 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD23 HD21 ' A' ' 27' ' ' LEU . 2.5 tm? -101.84 120.06 39.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -138.61 110.52 7.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.627 0.727 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.31 56.64 6.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.124 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 3.87 59.36 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.609 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -114.64 129.51 70.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 122.385 -0.48 . . . . 0.0 110.16 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD21 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.12 108.61 20.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.3 p -108.84 147.97 31.3 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.765 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 13.2 p90 -118.59 141.08 48.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.344 -177.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 40' ' ' SER . 84.3 m-85 -128.57 169.98 13.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.362 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -76.62 -38.79 54.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.004 0.43 . . . . 0.0 110.46 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.2 m -150.74 -177.83 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.693 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.21 -48.13 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.178 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.66 -26.34 65.46 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.527 0.68 . . . . 0.0 111.291 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 34.9 t70 -69.16 -14.34 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.858 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.483 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 78.0 t -65.4 -35.53 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.3 m -72.12 -16.66 62.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.151 0.5 . . . . 0.0 111.155 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 21.1 mmtm -75.79 -22.17 56.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.162 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.36 122.82 3.11 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.719 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.515 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 3.0 p -76.78 134.73 39.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.234 0.54 . . . . 0.0 112.025 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 5.5 mptt -98.53 -27.38 14.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.302 174.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.72 123.4 6.57 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.955 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p -138.09 159.14 42.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.982 0.42 . . . . 0.0 110.858 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -112.93 120.72 63.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HG2' HG11 ' A' ' 48' ' ' VAL . 27.7 ttmt -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.57 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.7 mtp -64.67 -31.08 72.14 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.941 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.81 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.43 -13.78 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.872 HG13 HD12 ' A' ' 65' ' ' ILE . 9.7 p -125.03 0.69 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.463 0.649 . . . . 0.0 110.236 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.778 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.9 t -129.25 124.5 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.3 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.556 ' HB2' HG21 ' A' ' 64' ' ' ILE . 44.9 mt-10 -88.05 134.54 33.72 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.074 0.464 . . . . 0.0 110.524 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.582 HG13 HG22 ' A' ' 53' ' ' VAL . 2.2 tp -98.67 119.26 46.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HG3' ' OE1' ' A' ' 62' ' ' GLU . 4.8 mmmm -85.42 107.48 17.41 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.606 0.717 . . . . 0.0 110.057 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 HG13 ' A' ' 51' ' ' ILE . 98.5 t -135.62 108.02 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.673 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -135.75 -52.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.126 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -156.4 -171.38 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.648 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 67.23 91.61 0.09 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.896 0.748 . . . . 0.0 111.078 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.756 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 8.5 m-20 -79.35 71.53 5.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.506 0.67 . . . . 0.0 111.894 -176.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.644 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 21.6 t-20 -160.49 168.57 24.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.589 HG21 ' HB1' ' A' ' 75' ' ' ALA . 21.7 p -58.55 92.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -173.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 58' ' ' ASN . 6.8 ptm180 -163.43 98.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.528 . . . . 0.0 111.599 177.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.585 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.7 mpp? -135.16 151.51 50.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.5 tt0 -123.23 136.17 54.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.574 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.39 120.13 41.52 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.556 HG21 ' HB2' ' A' ' 50' ' ' GLU . 1.1 tp -122.49 115.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.605 0.717 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.872 HD12 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -132.7 119.57 16.15 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.825 -1.079 . . . . 0.0 108.798 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.673 ' HD2' HD13 ' A' ' 65' ' ' ILE . 51.0 Cg_exo -54.16 135.63 65.14 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.823 2.349 . . . . 0.0 112.63 -178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.72 -44.37 1.95 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.292 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.8 mt-10 -107.95 -74.39 0.66 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.476 ' H ' HG22 ' A' ' 65' ' ' ILE . 2.4 pt20 46.38 -158.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.368 1.067 . . . . 0.0 112.645 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 68.4 29.07 5.93 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.909 0.861 . . . . 0.0 109.804 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -107.55 110.52 22.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.282 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -111.43 143.5 42.16 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 mtt -121.97 136.99 54.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 111.41 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.691 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 16.1 ttpp -136.96 119.23 15.62 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.589 ' HB1' HG21 ' A' ' 59' ' ' THR . . . -76.84 -174.84 3.22 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.683 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.663 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 58.8 t -62.76 -61.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.975 0.417 . . . . 0.0 109.984 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.417 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.2 p-10 -140.44 167.73 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.746 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 58' ' ' ASN . . . -48.33 -41.42 28.32 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.7 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.489 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.663 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 56.1 mm-40 -64.09 -36.22 83.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.756 ' NH1' ' HA ' ' A' ' 57' ' ' ASP . 5.3 ttp180 -57.24 -41.02 78.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.002 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.489 ' O ' HG22 ' A' ' 86' ' ' VAL . 58.2 tp60 -63.08 -33.36 75.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.648 -177.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -63.88 -45.81 87.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.35 0.595 . . . . 0.0 110.188 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.586 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.8 m95 -67.52 -35.62 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.235 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.507 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -61.67 -33.19 73.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.24 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 82' ' ' GLN . 54.9 t -63.05 -51.12 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.971 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.74 18.57 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.586 HD12 ' HB3' ' A' ' 84' ' ' TRP . 35.8 mt -72.27 -43.43 64.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.677 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.48 -29.05 65.82 Favored Glycine 0 C--N 1.329 0.15 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.174 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -55.77 -40.55 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.947 0.403 . . . . 0.0 110.477 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.69 ' HG ' HD12 ' A' ' 95' ' ' LEU . 33.3 t -70.22 -44.12 69.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.054 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -57.92 -39.04 77.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.289 0.566 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.03 93.16 1.74 Allowed 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.546 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.7 m 71.36 88.01 0.11 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.753 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 47' ' ' ALA . 22.9 tp -120.68 158.98 26.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.855 -178.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.4 p -70.9 154.37 41.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t70 66.22 -179.78 0.2 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.619 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -83.29 110.6 18.24 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -69.9 161.95 28.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.45 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.875 -175.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -64.65 145.23 86.52 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.843 2.362 . . . . 0.0 111.704 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.32 100.25 10.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.397 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 83.68 -66.14 3.98 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.643 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.498 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 20.7 t -161.46 -49.38 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.197 0.444 . . . . 0.0 112.197 -175.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' -3' ' ' SER . 53.2 Cg_exo -55.61 105.45 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 C-N-CA 122.315 2.01 . . . . 0.0 113.516 -177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -106.97 70.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.477 0.656 . . . . 0.0 109.484 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -126.1 128.09 46.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.139 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt -135.19 140.67 45.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.128 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.24 150.85 45.98 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.106 0.254 . . . . 0.0 110.486 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.47 -163.59 29.96 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.424 HG11 ' CE3' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -121.82 160.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.259 0.529 . . . . 0.0 110.358 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -132.46 154.56 49.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.625 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.69 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -66.09 119.38 11.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.101 172.469 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -114.28 116.57 29.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.698 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -75.86 124.86 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -109.88 -72.96 0.7 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -142.37 160.54 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -69.57 -19.92 63.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.751 0.31 . . . . 0.0 110.865 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.28 -41.36 63.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -87.26 -33.28 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.607 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.79 -104.17 3.11 Favored Glycine 0 N--CA 1.441 -1.012 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.309 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.493 ' HB2' ' CD2' ' A' ' 6' ' ' TYR . 8.2 p-90 -136.61 150.04 48.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 87.4 mt-30 -130.72 122.61 19.7 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 36.8 Cg_endo -66.25 108.34 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.575 2.183 . . . . 0.0 111.688 173.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.1 tpm_? -106.93 154.04 21.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.424 ' CE3' HG11 ' A' ' 4' ' ' VAL . 51.9 t-105 -94.0 131.96 38.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.042 0.448 . . . . 0.0 110.455 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.94 143.22 50.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.982 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.27 135.93 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.477 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.535 HD22 HD22 ' A' ' 27' ' ' LEU . 3.0 tm? -102.21 120.21 40.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.04 107.05 8.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.676 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 47.24 62.23 2.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 173.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 81.61 -7.81 60.84 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.133 -0.556 . . . . 0.0 114.403 176.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -117.14 132.16 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 118.088 0.944 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD22 HD22 ' A' ' 22' ' ' LEU . 3.3 tm? -107.49 110.93 22.98 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -107.53 148.57 29.06 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.985 -0.447 . . . . 0.0 111.153 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -121.55 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.986 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 95.8 m-85 -142.87 177.44 8.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.762 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.93 -39.13 51.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 111.218 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.452 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 6.0 p -157.3 -176.2 5.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -174.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -63.36 -51.38 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.589 -176.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 29.4 t70 -67.71 -27.94 67.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.264 0.554 . . . . 0.0 110.738 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.2 t70 -71.86 -6.3 40.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.129 -176.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.536 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 53.8 t -61.49 -39.01 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.117 0.484 . . . . 0.0 111.004 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.13 -26.5 21.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.948 0.404 . . . . 0.0 110.468 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 16.5 mmtm -88.5 -30.42 19.38 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -172.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.8 -131.54 2.34 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.999 -0.62 . . . . 0.0 114.632 -166.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.7 p -96.24 124.05 40.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -169.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -89.7 5.21 46.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.732 -176.764 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.04 -55.12 29.68 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.801 176.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 m 64.92 170.87 0.2 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 121.54 0.686 . . . . 0.0 112.13 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.2 mt -113.01 120.22 62.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.012 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.587 ' HB3' HG11 ' A' ' 48' ' ' VAL . 80.4 tttt -82.92 106.67 14.94 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.63 ' O ' HD21 ' A' ' 95' ' ' LEU . 95.2 mmm -62.6 -26.87 68.82 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 120.903 0.382 . . . . 0.0 111.854 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.628 ' HA ' HD13 ' A' ' 95' ' ' LEU . . . -76.48 -8.77 57.87 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.846 HG13 HD13 ' A' ' 65' ' ' ILE . 6.8 p -124.97 2.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.707 0.765 . . . . 0.0 109.633 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.785 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -132.08 118.83 20.16 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.747 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.574 ' HG2' ' HB2' ' A' ' 99' ' ' ARG . 23.5 mp0 -85.93 137.15 32.95 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.471 0.653 . . . . 0.0 110.686 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.571 HD13 ' HB3' ' A' ' 61' ' ' MET . 1.4 tp -98.04 118.55 44.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.627 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -83.99 108.39 16.93 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.457 0.646 . . . . 0.0 109.41 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.566 HG22 HG13 ' A' ' 51' ' ' ILE . 71.7 t -123.07 108.49 21.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.509 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 22.0 t-80 -81.92 -87.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.268 -175.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.1 p 174.88 119.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 122.439 0.296 . . . . 0.0 111.051 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.49 32.61 21.07 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.509 ' OD2' ' HB3' ' A' ' 54' ' ' HIS . 1.9 m-20 -89.11 150.44 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.83 0.348 . . . . 0.0 110.204 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 3.1 m-20 -89.12 102.13 14.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.53 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.613 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 20.8 p 50.34 51.29 17.07 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.435 0.694 . . . . 0.0 112.543 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 58' ' ' ASN . 39.3 mmt180 -124.46 101.16 7.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.627 -177.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.783 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.2 mpp? -140.31 147.32 39.72 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.42 132.47 51.49 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.902 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.0 119.38 38.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.627 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -123.17 114.95 44.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -178.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.846 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -122.16 110.93 32.43 Favored Pre-proline 0 N--CA 1.443 -0.798 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' HD11 ' A' ' 65' ' ' ILE . 46.3 Cg_exo -55.86 112.18 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.576 2.851 . . . . 0.0 113.043 -171.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.15 -64.77 0.6 Allowed Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.425 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 31.9 mt-10 -95.2 -58.34 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 10.1 pt20 43.91 -150.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.041 0.838 . . . . 0.0 112.8 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 73.98 36.36 0.71 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.661 0.743 . . . . 0.0 110.244 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -117.84 111.74 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.865 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.445 ' HD2' ' HE1' ' A' ' 6' ' ' TYR . 62.8 t80 -111.16 143.05 42.52 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.486 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 31.7 mtt -121.47 136.48 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.619 0.723 . . . . 0.0 111.527 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.69 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 71.1 tttt -142.43 120.69 12.27 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 171.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.476 ' HB1' HG23 ' A' ' 59' ' ' THR . . . -80.99 179.05 8.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.009 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.585 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 95.4 t -57.05 -56.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.852 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.43 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.0 p-10 -143.58 166.08 25.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.362 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.98 -41.64 25.79 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.226 0.329 . . . . 0.0 111.879 -173.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 82' ' ' GLN . . . -61.27 -43.02 99.56 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.013 0.435 . . . . 0.0 111.779 176.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.585 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 35.5 mm-40 -63.0 -32.25 73.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.783 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 25.5 ttt180 -57.92 -40.3 80.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.857 173.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.0 tp60 -61.66 -35.55 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.875 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -61.48 -46.25 90.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.794 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.523 ' HB3' HD12 ' A' ' 88' ' ' LEU . 97.0 m95 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.106 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.498 HD12 ' HG2' ' A' ' 81' ' ' ARG . 4.8 mp -62.56 -32.16 73.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.511 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.3 t -63.42 -51.3 72.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.676 176.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.53 15.59 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.885 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.2 mt -73.33 -39.61 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.905 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.4 77.43 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 121.306 -0.474 . . . . 0.0 112.593 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 m -61.52 -36.55 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.192 0.52 . . . . 0.0 109.834 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.559 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 28.8 t -69.46 -43.38 73.38 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.6 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.509 ' HB2' HG22 ' A' ' 51' ' ' ILE . 14.6 tttm -64.24 -37.43 87.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.12 104.41 2.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.805 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 m 73.71 39.43 0.55 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.166 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.709 ' HG ' ' H ' ' A' ' 96' ' ' THR . 10.9 tp -83.34 -157.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.371 175.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.709 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -55.99 155.14 6.61 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 123.363 0.665 . . . . 0.0 112.309 178.63 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.94 163.53 27.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.858 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.9 p 51.93 41.48 29.58 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.278 0.631 . . . . 0.0 111.035 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.574 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 20.5 ptt-85 -86.47 72.85 10.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.571 -173.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.405 -0.807 . . . . 0.0 110.01 178.412 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.232 0.155 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt -139.97 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.631 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.51 150.11 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.593 0.235 . . . . 0.0 110.452 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.0 -156.63 27.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.741 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.498 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.2 m -123.94 162.3 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 117.132 0.466 . . . . 0.0 110.623 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.54 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.6 mm? -136.47 154.0 50.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.533 176.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.703 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -70.43 125.51 26.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.887 171.259 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -122.4 123.8 42.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.07 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -73.27 132.34 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.116 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 p -116.6 -71.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -145.84 164.12 32.92 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -70.0 -27.68 64.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.642 0.258 . . . . 0.0 111.061 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.55 -41.7 65.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -83.08 -28.84 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.216 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.55 -105.23 2.9 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.823 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.703 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 6.2 p-90 -132.23 144.98 51.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 65.2 mt-30 -131.14 122.87 19.43 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.559 0.219 . . . . 0.0 110.531 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 39.5 Cg_endo -67.56 130.6 22.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.499 2.132 . . . . 0.0 111.781 174.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -126.21 154.77 42.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -92.94 129.14 38.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.142 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 29' ' ' TYR . 97.7 m-85 -132.56 141.51 48.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -133.0 137.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 HD23 ' A' ' 27' ' ' LEU . 3.2 tm? -102.72 118.67 37.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -147.8 133.17 18.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 59.47 28.23 17.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.598 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 83.47 7.0 87.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -116.64 135.27 57.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.478 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.7 109.19 21.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 p -108.81 148.87 29.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.076 0.465 . . . . 0.0 111.506 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 34.0 p90 -115.55 143.14 45.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.669 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.617 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 87.2 m-85 -136.86 164.44 28.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.781 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.46 -37.17 63.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.239 0.542 . . . . 0.0 110.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.511 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 74.5 m -158.88 179.68 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.769 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.04 -44.78 87.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.951 0.405 . . . . 0.0 110.687 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.29 -33.37 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.533 . . . . 0.0 110.897 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HB3' ' H ' ' A' ' 32' ' ' SER . 35.3 t70 -68.07 -24.62 65.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.921 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.617 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 72.1 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.293 0.568 . . . . 0.0 110.548 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.878 0.371 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.19 119.75 60.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.499 ' O ' HG12 ' A' ' 48' ' ' VAL . 76.8 tttt -86.35 95.38 9.63 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.727 -174.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.516 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 94.9 mmm -54.28 -33.4 58.55 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.22 -10.78 45.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.704 HG13 HD13 ' A' ' 65' ' ' ILE . 5.9 p -125.16 -0.95 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.406 0.622 . . . . 0.0 110.118 176.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.95 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 34.7 m -120.6 132.51 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.751 ' HB2' HG23 ' A' ' 64' ' ' ILE . 34.6 mt-10 -89.53 131.11 35.72 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.397 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -98.27 115.11 37.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.3 mmmt -85.34 108.32 17.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.319 0.58 . . . . 0.0 110.001 -170.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 51' ' ' ILE . 70.2 t . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.352 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.564 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.497 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -93.65 114.96 27.39 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -167.179 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.489 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.6 mpp? -134.81 156.48 48.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 175.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -126.7 138.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 122.363 -0.211 . . . . 0.0 110.965 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -113.23 121.77 45.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 109.905 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.751 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -126.16 116.6 46.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.391 0.615 . . . . 0.0 111.137 -179.137 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.95 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.66 114.31 24.99 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.516 177.385 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 65' ' ' ILE . 42.5 Cg_exo -56.32 112.97 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.961 2.441 . . . . 0.0 112.968 -171.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.92 -57.35 0.69 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.64 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 33.8 mt-10 -97.06 -69.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 8.9 pt20 48.77 -162.7 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 168.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.5 37.79 5.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -103.81 112.21 25.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.276 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.447 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 18.1 t80 -104.25 128.64 52.02 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.54 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 90.2 mtp -121.53 136.79 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 109.962 -177.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 36.6 ttmt -143.36 124.17 14.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.046 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.21 -178.83 7.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.629 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.736 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.4 t -61.17 -58.98 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.458 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 31.6 p30 -137.74 174.14 10.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.149 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.96 -37.3 63.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.367 . . . . 0.0 111.429 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.87 83.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.674 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.736 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 23.1 mm-40 -60.68 -40.19 91.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.416 0.627 . . . . 0.0 110.106 175.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.564 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -57.93 -38.48 76.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.6 175.025 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 86' ' ' VAL . 55.3 tp60 -64.58 -34.22 77.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.56 -45.27 94.85 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.476 0.655 . . . . 0.0 110.015 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.501 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -66.18 -38.2 87.45 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.353 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 2.8 mp -62.89 -32.13 73.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.049 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 82' ' ' GLN . 45.7 t -62.19 -51.35 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.73 19.18 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 112.163 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 84' ' ' TRP . 40.0 mt -74.37 -44.82 50.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.288 -175.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.86 -31.27 80.22 Favored Glycine 0 CA--C 1.512 -0.128 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.863 -173.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 t -66.7 -28.75 68.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 109.79 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -69.86 -42.11 73.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.014 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HB2' HG23 ' A' ' 51' ' ' ILE . 18.3 ttpt -56.88 -46.0 82.14 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.036 0.446 . . . . 0.0 111.574 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -175.536 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 16.3 tpt -139.65 138.24 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.148 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 162.67 32.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.78 0.324 . . . . 0.0 110.767 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.11 -175.49 23.91 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.498 HG12 ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -115.37 158.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 117.097 0.449 . . . . 0.0 110.163 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.8 mm? -130.12 145.3 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.872 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.69 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 1.4 t80 -62.06 124.06 19.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.386 171.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -124.8 117.38 24.01 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.882 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -75.97 125.81 29.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -109.63 -77.43 0.6 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.511 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -132.13 159.25 39.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -66.67 -21.72 66.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.0 -41.36 64.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 p -89.24 -28.97 19.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.556 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -109.19 3.36 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 3.7 p-90 -124.76 150.48 46.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 18.8 mm-40 -131.36 121.73 18.62 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 40.1 Cg_endo -67.44 106.0 1.16 Allowed 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.357 2.038 . . . . 0.0 111.527 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.762 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.4 tpm_? -106.73 151.3 25.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.498 ' CE3' HG12 ' A' ' 4' ' ' VAL . 42.8 t-105 -95.01 133.5 38.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.92 0.391 . . . . 0.0 110.366 -174.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD1' HD23 ' A' ' 5' ' ' LEU . 94.7 m-85 -132.65 149.26 52.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.007 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 28' ' ' SER . 24.3 m -133.21 135.39 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.66 HD23 HD23 ' A' ' 27' ' ' LEU . 1.8 tm? -103.99 118.55 36.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.2 131.64 15.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.667 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.1 t30 59.71 38.67 21.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.222 0.534 . . . . 0.0 111.432 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 71.71 10.97 72.68 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.776 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.39 132.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.548 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 HD23 ' A' ' 22' ' ' LEU . 2.6 tm? -104.76 110.85 23.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 21' ' ' VAL . 15.2 m -106.3 136.72 45.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.683 0.278 . . . . 0.0 110.803 -172.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -106.55 135.53 47.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.537 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 82.2 m-85 -144.63 171.8 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 18' ' ' ARG . 3.8 t70 -73.22 -37.7 66.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.722 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.521 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 15.2 p -165.61 -174.51 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.509 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.96 -32.96 71.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.837 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.521 ' HB3' ' H ' ' A' ' 32' ' ' SER . 35.3 t70 -67.26 -16.64 64.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.878 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' CG ' ' A' ' 30' ' ' TYR . 76.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.273 0.559 . . . . 0.0 110.81 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.16 120.43 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.417 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' HG12 ' A' ' 48' ' ' VAL . 29.7 ttmt -78.03 116.03 18.21 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.334 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.577 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.1 mtp -65.58 -30.89 71.68 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 120.619 0.247 . . . . 0.0 111.117 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.38 -13.16 60.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.88 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.59 2.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.656 0.741 . . . . 0.0 110.21 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.67 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.4 t -129.43 125.19 35.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.404 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.0 mm-40 -88.27 133.65 34.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.318 0.58 . . . . 0.0 110.728 -178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.667 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.43 118.92 46.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.87 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -84.2 110.32 18.44 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.667 HG23 HG13 ' A' ' 51' ' ' ILE . 54.5 t . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.937 -172.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.79 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 14.8 p . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -110.45 121.05 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -167.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.66 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.3 mpp? -140.97 153.39 45.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 174.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -125.17 138.61 54.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.456 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.51 121.26 44.72 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.87 HG21 ' HE3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -123.25 115.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.375 0.607 . . . . 0.0 111.018 -178.031 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.88 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.73 115.81 18.12 Favored Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.437 -178.742 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 65' ' ' ILE . 36.0 Cg_exo -57.75 117.6 4.33 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.959 2.439 . . . . 0.0 112.529 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.7 -60.27 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.608 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -108.08 -55.96 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 13.8 pt20 45.56 -163.29 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.193 0.997 . . . . 0.0 113.61 173.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 t60 68.82 51.22 0.59 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.619 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.71 111.46 17.2 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -102.79 138.97 38.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.474 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 77.4 mtp -135.97 135.8 39.86 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.69 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 54.2 tttm -136.82 125.49 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 80' ' ' GLU . . . -83.62 168.32 16.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.201 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.802 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.0 t -55.42 -57.27 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.007 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.665 ' C ' HG22 ' A' ' 59' ' ' THR . 35.8 p30 -137.34 -179.02 5.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.225 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -58.49 -41.43 85.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 -175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.77 97.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.522 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.802 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.3 mm-40 -60.9 -39.84 90.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.877 175.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.79 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.1 ttt180 -59.33 -44.99 92.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.83 174.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.2 tp60 -60.5 -35.72 76.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.176 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 45.5 mtt180 -61.77 -46.66 88.63 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.319 0.581 . . . . 0.0 110.631 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.506 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -68.79 -35.6 77.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.9 mp -62.53 -31.78 72.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 176.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.9 t -63.51 -51.48 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.572 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.0 -49.9 22.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.577 HD23 ' SD ' ' A' ' 46' ' ' MET . 34.1 mt -73.67 -40.73 63.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.849 -177.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.93 91.45 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 113.205 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.8 p -63.94 -28.45 69.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.072 0.463 . . . . 0.0 110.06 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 m -69.28 -47.24 65.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.588 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -34.9 78.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.225 0.536 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.821 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.091 -179.092 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 0' ' ' PHE . . . . . 0.554 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 89.0 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.033 0.445 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -141.03 142.23 34.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.845 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -137.29 156.93 47.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.675 0.274 . . . . 0.0 110.813 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.09 -173.6 31.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.678 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.497 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.44 157.3 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.279 0.539 . . . . 0.0 110.21 178.257 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -133.75 151.36 51.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.688 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m-85 -70.06 100.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.242 175.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -98.91 116.44 31.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -67.94 133.97 50.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.525 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -119.02 -63.42 1.4 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.001 0.429 . . . . 0.0 110.732 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.79 162.34 41.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -75.33 -17.59 60.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.645 0.259 . . . . 0.0 111.493 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.38 -40.97 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.15 0.5 . . . . 0.0 110.065 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 p -87.96 -29.67 20.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.473 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.42 -98.49 2.18 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 13.6 p-90 -131.27 149.93 52.36 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -131.16 123.32 19.69 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.239 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.5 115.49 3.56 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.511 2.141 . . . . 0.0 111.876 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 33.2 mmt180 -115.66 152.8 32.48 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.969 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.45 ' CE3' HG12 ' A' ' 4' ' ' VAL . 55.6 t-105 -94.11 124.48 38.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.118 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 92.8 m-85 -122.35 146.09 47.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.894 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.21 136.14 55.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.186 0.517 . . . . 0.0 110.54 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 2.9 tm? -102.19 120.03 39.79 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -135.95 107.78 7.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.611 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 53.63 46.06 26.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.471 172.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 -5.65 80.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.287 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.49 130.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 122.181 -0.599 . . . . 0.0 110.569 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.534 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -107.44 110.24 22.15 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -114.1 148.96 36.27 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.13 -175.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 45.3 p90 -118.04 149.6 40.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -132.95 173.46 11.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.91 -39.78 69.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.935 0.398 . . . . 0.0 110.727 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.469 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 69.7 m -155.29 -177.64 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.875 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.21 -43.19 95.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.089 0.471 . . . . 0.0 110.28 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -28.33 69.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.3 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.4 t70 -69.69 -15.87 63.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.125 -174.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 176.745 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -111.33 121.98 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.759 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HB3' HG12 ' A' ' 48' ' ' VAL . 33.6 ttmt -79.79 111.66 16.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.976 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.42 -26.5 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.855 0.36 . . . . 0.0 110.983 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.74 -11.97 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.646 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.885 HG13 HD13 ' A' ' 65' ' ' ILE . 9.2 p -125.51 2.07 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.658 0.742 . . . . 0.0 110.061 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 42.5 t -124.14 132.81 53.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.424 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.667 ' HB2' HG23 ' A' ' 64' ' ' ILE . 26.3 mt-10 -88.95 129.6 35.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.997 0.427 . . . . 0.0 110.019 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.665 HG13 HG23 ' A' ' 53' ' ' VAL . 2.4 tp -99.13 115.0 38.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -85.85 109.64 18.84 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -172.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.665 HG23 HG13 ' A' ' 51' ' ' ILE . 49.4 t . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -173.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.818 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 24.2 p . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 120.683 0.278 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' H ' ' HD2' ' A' ' 81' ' ' ARG . 17.2 mmm180 -135.26 103.65 5.6 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -171.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.751 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -143.38 143.21 31.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 122.247 -0.283 . . . . 0.0 110.761 174.095 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -120.64 138.53 53.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.5 mm? -108.05 120.8 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.667 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -126.84 115.7 42.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.417 0.627 . . . . 0.0 111.219 -178.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.885 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.64 116.41 18.31 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.887 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.0 Cg_exo -53.32 115.26 2.18 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.042 2.495 . . . . 0.0 112.681 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.83 -58.67 0.65 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 30.3 mt-10 -100.44 -68.56 0.81 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 12.9 pt20 48.98 -168.47 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 168.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 63.32 39.57 9.34 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 94.0 m-85 -101.94 111.39 23.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.776 176.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -95.06 140.59 29.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.443 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 33.8 mtt -123.0 136.5 54.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.164 0.507 . . . . 0.0 110.698 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.688 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -133.84 121.51 21.89 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.58 174.68 11.33 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.696 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.31 -65.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.244 0.545 . . . . 0.0 109.928 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 87.9 m-20 -118.14 162.45 18.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.331 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.19 64.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.054 0.454 . . . . 0.0 109.83 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.3 96.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.466 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 38.6 mm-40 -67.05 -33.17 74.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.818 ' HD2' ' HA ' ' A' ' 59' ' ' THR . 45.5 ttt180 -62.92 -41.89 99.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.172 173.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.1 tp60 -58.24 -34.78 70.82 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -62.21 -43.86 97.87 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.466 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -67.93 -36.94 81.01 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.154 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.2 mp -63.59 -32.24 73.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.604 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.1 t -63.55 -51.06 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.672 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.23 -50.15 23.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.193 0.52 . . . . 0.0 111.95 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 84' ' ' TRP . 30.6 mt -74.59 -40.59 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.917 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.15 89.27 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.22 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -62.65 -26.77 68.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.142 0.496 . . . . 0.0 110.119 176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 88' ' ' LEU . 27.8 t -69.37 -47.92 62.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.064 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -60.97 -41.16 95.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.906 0.384 . . . . 0.0 110.978 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.213 -177.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 0' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 86.0 t80 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.858 0.361 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.427 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.7 tpt -139.86 143.59 36.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.986 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -135.81 153.63 51.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.207 0.317 . . . . 0.0 110.349 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.82 -164.29 27.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.753 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.468 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -124.31 161.38 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.991 0.395 . . . . 0.0 110.467 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.804 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -136.1 160.03 39.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.037 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.735 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -70.44 118.86 13.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.918 171.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -113.99 116.25 28.91 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -65.19 124.89 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -110.66 -70.16 0.83 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.818 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -142.84 162.63 34.96 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -71.23 -24.6 62.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.755 0.312 . . . . 0.0 110.961 -176.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.56 -41.25 63.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.221 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -84.48 -33.63 23.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.832 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.07 -97.29 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.735 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -122.97 135.14 54.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.828 0.347 . . . . 0.0 110.645 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -132.46 123.66 18.67 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.076 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.88 124.78 12.73 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.721 2.281 . . . . 0.0 112.217 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.43 155.76 34.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.958 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -93.68 124.46 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.36 0.413 . . . . 0.0 110.008 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.405 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 97.4 m-85 -125.69 144.02 50.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.42 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.428 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 3.1 tm? -102.0 121.22 41.75 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 175.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -137.79 107.29 6.16 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 t30 52.96 58.02 5.75 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.0 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.16 -7.71 66.36 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.892 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -114.86 131.05 68.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 117.579 0.689 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 22' ' ' LEU . 2.9 tm? -104.09 115.66 30.83 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -107.39 142.62 36.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.74 0.305 . . . . 0.0 110.821 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -118.85 137.42 53.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.484 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.489 ' CD1' HG22 ' A' ' 36' ' ' VAL . 95.7 m-85 -137.32 171.03 15.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.442 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.18 -39.68 60.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.978 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.453 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 69.1 m -154.0 -178.4 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.468 -175.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -64.65 -53.93 39.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.91 -25.93 68.37 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.276 0.56 . . . . 0.0 111.111 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.453 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.5 t70 -66.84 -21.08 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.943 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 30' ' ' TYR . 89.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.286 0.565 . . . . 0.0 110.98 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.739 0.304 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.94 120.13 60.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.454 0.645 . . . . 0.0 109.349 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -83.04 110.87 18.35 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.303 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB3' ' HB3' ' A' ' 91' ' ' SER . 95.4 mmm -63.31 -27.5 69.37 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.43 -15.17 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.811 HG13 HD13 ' A' ' 65' ' ' ILE . 6.4 p -125.33 1.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.759 0.79 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.809 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.8 t -135.84 118.88 16.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.803 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.509 ' HB3' ' HE3' ' A' ' 52' ' ' LYS . 7.7 mt-10 -87.06 143.1 27.47 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.554 0.692 . . . . 0.0 111.14 -177.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.744 HD11 ' HB3' ' A' ' 61' ' ' MET . 2.2 tp -97.53 115.07 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 167.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' HE3' ' HB3' ' A' ' 50' ' ' GLU . 7.9 mmpt? -84.22 108.21 16.97 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -172.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 51' ' ' ILE . 56.0 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.998 -173.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.629 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 45.6 p . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 121.01 0.433 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -128.8 98.31 4.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.026 0.441 . . . . 0.0 111.896 -174.049 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.8 mpp? -134.62 156.12 49.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -131.12 137.51 49.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.7 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.21 121.16 44.62 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 1.2 tp -126.25 116.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.513 0.673 . . . . 0.0 111.381 -177.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.811 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -128.52 115.9 19.68 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.74 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 65' ' ' ILE . 45.0 Cg_exo -56.7 111.86 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.914 2.409 . . . . 0.0 112.322 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 -62.66 0.62 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.721 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' C ' ' HG3' ' A' ' 69' ' ' GLN . 23.1 mt-10 -101.94 -59.81 1.64 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.451 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.453 ' HG3' ' C ' ' A' ' 68' ' ' GLU . 4.5 pp0? 45.21 -161.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 175.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.2 t60 66.41 38.96 4.13 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.737 0.78 . . . . 0.0 109.499 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.7 112.29 23.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.288 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -103.54 146.57 28.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.804 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -120.41 136.57 54.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.527 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.712 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 23.0 ttmm -152.29 123.02 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.93 -174.47 4.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.215 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.83 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 52.8 t -65.52 -61.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.63 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -136.37 174.73 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.384 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.83 -45.04 29.44 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.21 99.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.082 0.468 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.83 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 36.2 mm-40 -63.23 -38.63 91.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.542 0.687 . . . . 0.0 109.941 175.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.629 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.1 tmm_? -59.95 -40.14 87.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.086 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 tp60 -66.97 -33.8 76.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 0.0 111.02 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.468 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.3 m95 -69.37 -35.13 75.52 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.411 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.1 mp -60.63 -32.85 71.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.25 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.1 t -63.38 -51.89 65.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.14 176.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.72 -50.28 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 112.031 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.4 mt -72.93 -33.7 66.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.512 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.56 -31.43 74.73 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.898 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.4 t -57.05 -36.43 70.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 110.008 174.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.461 ' HB3' ' HB3' ' A' ' 46' ' ' MET . 28.3 m -70.55 -49.89 43.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.489 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -37.51 87.76 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.773 0.321 . . . . 0.0 111.667 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.357 -176.656 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt -138.7 137.16 36.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.16 145.96 42.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.23 -169.17 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -117.75 157.97 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.303 0.551 . . . . 0.0 110.27 179.036 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.47 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.6 mm? -132.06 151.02 52.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.308 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.723 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 4.2 t80 -61.43 115.93 4.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 172.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -117.65 124.0 47.51 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.17 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -73.28 142.11 47.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.95 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 p -125.0 -78.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -136.85 156.88 47.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -67.7 -23.49 65.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.45 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.2 -40.01 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 0.0 110.99 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -88.59 -29.19 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.794 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -111.47 3.71 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CZ3' ' HA ' ' A' ' 6' ' ' TYR . 6.8 p-90 -127.75 149.27 50.31 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -131.74 125.01 20.19 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.878 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.81 116.82 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.367 2.044 . . . . 0.0 111.134 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.651 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.6 mmp_? -107.56 151.63 25.35 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -93.25 117.52 30.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 89.0 m-85 -114.76 144.19 43.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.004 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -133.38 135.33 56.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.15 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -103.47 119.66 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.52 112.29 5.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.422 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.41 44.94 23.61 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.664 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.76 -1.53 88.62 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.95 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.53 129.05 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -106.31 110.51 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 19.5 m -107.73 148.24 29.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.004 -173.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.495 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 23.2 p90 -122.23 133.78 54.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.703 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.492 ' CD1' HG22 ' A' ' 36' ' ' VAL . 58.3 m-85 -134.65 165.38 25.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.135 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.7 -36.73 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -158.03 -177.27 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -71.76 -39.41 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.122 0.487 . . . . 0.0 110.042 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.96 -25.19 63.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.23 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -89.31 -14.0 36.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.417 -173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.492 HG22 ' CD1' ' A' ' 30' ' ' TYR . 59.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.004 0.43 . . . . 0.0 111.408 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.578 0.228 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.13 121.25 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.231 0.539 . . . . 0.0 110.296 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.636 ' HG2' HG12 ' A' ' 48' ' ' VAL . 18.4 ttmt -86.18 111.59 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.434 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.549 ' SD ' HD23 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -58.41 -35.18 71.66 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.547 -178.156 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.66 -9.57 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.692 HG13 HD13 ' A' ' 65' ' ' ILE . 9.5 p -125.26 -3.87 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.24 0.543 . . . . 0.0 110.647 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.886 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 47.6 m -117.45 134.66 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.902 0.382 . . . . 0.0 110.454 -176.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.505 ' CB ' HG23 ' A' ' 64' ' ' ILE . 2.4 mm-40 -88.72 124.19 33.87 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.669 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.9 114.34 36.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.0 mmmt -84.47 108.78 17.45 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.589 -169.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.669 HG23 HG13 ' A' ' 51' ' ' ILE . 55.5 t . . . . . 0 N--CA 1.448 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.259 -173.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.877 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 48.72 95.53 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.535 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.2 mpp? -133.78 140.72 47.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.779 173.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -113.59 139.32 49.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.108 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 51' ' ' ILE . 4.0 mm? -109.03 121.5 45.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 109.739 175.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.505 HG23 ' CB ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -122.86 116.58 49.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.886 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.8 119.31 24.18 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.989 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.694 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.1 Cg_exo -54.41 122.82 12.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.999 2.466 . . . . 0.0 112.658 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.65 -50.35 0.78 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.177 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -107.67 -65.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.404 -0.118 . . . . 0.0 110.837 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.574 ' H ' HG23 ' A' ' 65' ' ' ILE . 28.1 pt20 47.18 -163.26 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.249 1.02 . . . . 0.0 113.389 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 68.58 52.92 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.734 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -125.96 112.86 16.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -103.78 135.45 45.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.712 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.465 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.8 mtp -130.61 137.27 49.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.092 0.472 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 58.0 tttm -138.36 121.88 17.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.95 169.31 18.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.072 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.72 -54.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 123.553 0.533 . . . . 0.0 111.001 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.45 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -143.04 168.44 19.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.142 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.631 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -50.98 -40.9 58.98 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.446 ' HB3' ' ND2' ' A' ' 77' ' ' ASN . . . -62.67 -44.48 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.958 0.409 . . . . 0.0 111.872 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 53.5 mm-40 -63.33 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.453 0.644 . . . . 0.0 110.908 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.877 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -56.74 -38.14 71.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.036 172.787 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 86' ' ' VAL . 27.2 tp60 -67.76 -34.36 76.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.503 -176.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -64.47 -45.24 88.27 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 110.39 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.53 ' HB3' HD12 ' A' ' 88' ' ' LEU . 90.6 m95 -66.63 -36.26 82.15 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.155 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' A' ' 81' ' ' ARG . 3.1 mp -62.68 -32.23 73.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.748 177.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -64.19 -51.31 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.707 176.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -49.65 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' A' ' 46' ' ' MET . 30.0 mt -74.34 -44.64 51.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.292 0.568 . . . . 0.0 111.954 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.94 -29.99 73.92 Favored Glycine 0 N--CA 1.453 -0.18 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.153 -173.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -64.33 -26.92 68.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.908 0.385 . . . . 0.0 110.409 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.2 t -70.16 -49.41 50.8 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.753 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.6 -36.74 67.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 111.904 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.638 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.883 -179.058 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 0' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 72.9 t80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.885 0.374 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt -140.23 136.75 33.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 159.38 39.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.98 -170.82 30.73 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.467 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -117.87 153.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 117.148 0.474 . . . . 0.0 110.365 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.62 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -130.44 150.21 51.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.713 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -70.66 103.13 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.163 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -98.25 116.67 30.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.807 0.337 . . . . 0.0 110.248 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -70.45 131.93 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.625 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -115.75 -65.27 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.068 0.461 . . . . 0.0 111.401 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -148.82 168.46 22.92 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -76.5 -27.04 55.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.578 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.66 -39.32 64.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.11 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 p -87.91 -26.93 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.756 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.26 -119.34 4.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 19.8 p-90 -120.98 157.51 29.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -129.79 123.19 20.94 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.699 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.42 94.94 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 111.673 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -102.44 155.95 17.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.195 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.413 ' CE3' HG12 ' A' ' 4' ' ' VAL . 49.4 t-105 -94.47 124.34 38.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.567 -171.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.449 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 88.2 m-85 -121.84 147.52 45.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.594 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.534 HG22 ' HE1' ' A' ' 30' ' ' TYR . 35.3 m -136.36 136.89 48.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.741 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -101.98 120.26 40.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 173.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -145.23 108.41 4.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.15 61.08 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.49 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.85 -8.02 12.84 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.888 -0.596 . . . . 0.0 114.2 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.95 132.5 60.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 117.769 0.785 . . . . 0.0 111.053 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.627 HD23 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -103.95 110.1 22.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -108.38 146.9 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.898 0.38 . . . . 0.0 111.249 -174.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -117.09 138.57 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 84.3 m-85 -128.02 167.88 16.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.26 -37.83 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.232 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 p -151.98 -179.18 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.995 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -68.62 -37.8 80.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.02 -34.85 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.35 -21.34 66.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.662 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.564 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 88.5 t . . . . . 0 C--O 1.235 0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.4 mt -110.9 120.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.442 0.639 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 17.9 ttmt -81.07 112.73 18.71 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.322 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.415 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -62.25 -33.57 74.87 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.001 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.41 60.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.954 HG13 HD13 ' A' ' 65' ' ' ILE . 9.5 p -124.69 -7.76 6.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.409 0.623 . . . . 0.0 110.383 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.757 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.8 t -117.23 122.45 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.999 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' A' ' 64' ' ' ILE . 38.8 mt-10 -88.04 135.03 33.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.169 0.509 . . . . 0.0 110.352 -175.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.702 HG13 HG23 ' A' ' 53' ' ' VAL . 2.0 tp -99.04 118.35 45.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.968 ' HE3' HG21 ' A' ' 64' ' ' ILE . 19.3 mmtp -84.06 108.55 17.06 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.13 0.49 . . . . 0.0 109.832 -172.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.702 HG23 HG13 ' A' ' 51' ' ' ILE . 77.2 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.533 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.816 ' HA ' ' HG3' ' A' ' 81' ' ' ARG . 36.4 p . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -160.77 106.67 1.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.09 0.471 . . . . 0.0 111.904 175.523 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.754 ' SD ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mpp? -139.06 156.36 47.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.844 173.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -127.7 134.3 49.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.466 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.97 121.05 43.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.968 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -125.18 116.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-O 121.342 0.591 . . . . 0.0 111.473 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.954 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.52 117.41 18.65 Favored Pre-proline 0 N--CA 1.449 -0.503 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.024 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD2' HD12 ' A' ' 65' ' ' ILE . 58.8 Cg_exo -53.49 119.67 6.57 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.113 2.542 . . . . 0.0 113.079 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.1 -46.48 1.21 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.118 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.91 -78.53 0.4 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.931 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.9 pt20 43.06 -156.85 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.669 1.188 . . . . 0.0 112.91 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.0 t60 71.92 27.74 2.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 109.887 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -112.35 111.72 22.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.233 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -109.21 135.14 50.81 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.62 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.2 mtp -127.23 136.43 52.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.18 0.514 . . . . 0.0 110.334 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.713 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 80.7 tttt -138.51 123.62 19.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -79.9 177.77 8.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.231 -178.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.77 -59.11 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 110.597 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 10.7 p30 -136.97 169.93 16.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.652 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.86 49.43 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.332 0.395 . . . . 0.0 111.647 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -59.99 -45.4 92.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.965 0.412 . . . . 0.0 111.584 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.46 -39.17 89.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.696 0.76 . . . . 0.0 110.522 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.816 ' HG3' ' HA ' ' A' ' 59' ' ' THR . 2.2 tmt_? -63.92 -40.25 96.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.043 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.474 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.3 tp60 -61.35 -34.68 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.51 -44.16 91.78 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.999 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.449 ' HH2' ' O ' ' A' ' 20' ' ' PHE . 94.4 m95 -64.9 -35.72 82.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.166 0.508 . . . . 0.0 110.07 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.485 HD13 ' HD3' ' A' ' 81' ' ' ARG . 3.0 mp -62.83 -32.67 73.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.732 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -63.06 -51.01 77.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.635 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.33 -49.78 25.57 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.1 mt -73.52 -40.02 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.46 . . . . 0.0 112.006 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -35.61 92.3 Favored Glycine 0 C--O 1.234 0.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 113.499 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.6 p -64.94 -33.08 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.4 . . . . 0.0 110.643 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 t -68.92 -43.09 75.89 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.968 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HB2' HG23 ' A' ' 51' ' ' ILE . 1.1 ttpm? -55.89 -39.09 71.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.299 0.639 . . . . 0.0 112.387 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.811 -172.522 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.481 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -131.97 138.74 48.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.879 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -144.48 150.13 37.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.26 -172.29 34.69 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.528 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.0 155.56 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.432 0.616 . . . . 0.0 110.458 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.675 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.5 160.14 39.39 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.884 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -73.61 117.15 15.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.284 0.564 . . . . 0.0 110.258 172.524 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -112.52 115.97 29.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.287 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.8 128.16 35.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.094 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 p -113.96 -62.98 1.52 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -158.28 159.12 35.63 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -75.18 -16.05 60.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.155 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.64 -41.46 62.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.42 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -83.75 -40.24 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.327 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.29 -108.48 3.62 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.884 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.9 p-90 -127.65 150.93 49.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 77.2 mm-40 -131.09 122.46 19.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.539 176.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 56.1 Cg_endo -70.99 115.56 4.32 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.456 2.104 . . . . 0.0 111.398 171.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 29.7 mmt180 -118.38 159.05 24.11 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.448 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -93.99 117.68 30.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 82.3 m-85 -115.92 144.0 44.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.953 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.36 137.07 53.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.288 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.623 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -102.21 120.72 40.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.44 110.09 6.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.214 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.2 t30 50.45 53.24 13.27 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.314 171.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.59 -3.63 81.79 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.176 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -112.1 131.35 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.016 0.436 . . . . 0.0 110.414 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.623 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.67 110.5 22.7 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 p -116.74 135.44 53.76 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.136 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.483 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 49.9 p90 -104.43 148.51 26.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.411 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.527 ' CD2' HG22 ' A' ' 36' ' ' VAL . 95.5 m-85 -136.74 170.03 16.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.08 -40.14 68.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.011 0.434 . . . . 0.0 110.257 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.427 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 45.2 m -161.98 -176.09 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.809 -178.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -64.05 -39.7 94.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 110.17 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.97 -32.84 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.377 0.608 . . . . 0.0 111.554 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.5 t70 -78.22 -16.57 57.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.287 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.527 HG22 ' CD2' ' A' ' 30' ' ' TYR . 99.5 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.183 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.92 120.66 62.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.957 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -81.14 112.81 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.952 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 92.5 mmm -64.21 -27.12 68.84 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.446 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.25 -16.13 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.032 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.889 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.55 0.59 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.618 0.723 . . . . 0.0 110.271 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.591 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.9 t -122.23 133.11 54.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.068 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.481 ' OE1' ' HG3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -88.37 146.98 24.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.723 0.773 . . . . 0.0 110.229 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.685 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -119.09 114.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.289 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.887 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 10.3 mmpt? -85.18 108.68 17.83 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.913 -170.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.685 HG23 HG13 ' A' ' 51' ' ' ILE . 38.5 t . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.415 -171.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.764 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 17.2 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -107.58 118.57 37.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.978 0.418 . . . . 0.0 111.301 -170.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.592 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.9 mpp? -138.36 156.53 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.93 138.04 50.67 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.407 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.26 120.63 42.35 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -123.06 114.54 42.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.491 0.662 . . . . 0.0 110.853 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.889 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -124.96 115.89 26.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.623 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.65 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.9 Cg_exo -53.32 119.48 6.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.269 2.646 . . . . 0.0 112.872 -174.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.28 -53.03 0.62 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.936 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.12 -71.23 0.69 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.562 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.7 pt20 45.41 -161.46 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.512 1.125 . . . . 0.0 113.704 174.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 68.56 38.6 2.29 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.091 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -111.45 111.9 23.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.487 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -102.86 143.02 33.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.675 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -121.07 136.53 54.96 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.077 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.65 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 47.5 tttp -147.18 122.23 10.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.17 0.51 . . . . 0.0 110.438 172.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 173.83 8.91 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.929 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.711 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 75.5 t -55.76 -57.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.46 0.475 . . . . 0.0 111.033 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.613 ' C ' HG22 ' A' ' 59' ' ' THR . 31.8 p30 -139.81 179.31 6.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.153 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -57.44 -39.17 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 110.992 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.43 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.422 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.711 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 28.8 mm-40 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.302 0.573 . . . . 0.0 110.58 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.764 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 23.8 ttt180 -57.63 -45.19 85.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.906 174.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.553 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.7 tp60 -61.84 -33.12 73.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.795 -176.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.11 -45.09 93.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.532 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -69.05 -34.96 76.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.084 0.469 . . . . 0.0 110.46 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.563 ' HG ' HG13 ' A' ' 53' ' ' VAL . 5.7 mp -60.86 -32.37 71.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.153 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.8 t -65.58 -52.08 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.106 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.86 -50.31 24.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.268 0.556 . . . . 0.0 111.825 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.544 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.8 mt -74.42 -41.97 59.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.655 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.95 -32.04 76.5 Favored Glycine 0 N--CA 1.454 -0.161 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.048 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.0 p -67.84 -26.18 65.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -69.61 -34.16 73.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.09 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.481 ' HG3' ' OE1' ' A' ' 50' ' ' GLU . 12.1 ttpp -64.21 -22.3 66.89 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.549 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.494 -177.536 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt -141.9 137.53 31.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 155.63 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.9 -171.3 34.93 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.665 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.51 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -113.21 157.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.06 179.197 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.585 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -134.87 155.18 51.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.752 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -71.74 126.76 30.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.351 173.573 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.06 124.24 42.67 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.992 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -74.68 99.58 3.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -69.84 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -162.08 171.37 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.553 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -57.04 -35.61 69.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.89 -41.4 87.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.702 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -87.35 -28.48 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 111.561 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.29 -91.21 1.64 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.18 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 3.5 p-90 -140.1 140.59 36.1 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -131.29 123.82 19.89 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.0 129.31 21.6 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.646 2.23 . . . . 0.0 111.945 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 31' ' ' ASP . 25.1 mmt180 -120.66 155.34 34.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.705 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.413 ' HE3' HG12 ' A' ' 4' ' ' VAL . 62.3 t-105 -94.34 121.54 35.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD2' HD23 ' A' ' 5' ' ' LEU . 98.5 m-85 -122.91 147.79 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.102 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.44 136.22 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.256 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -103.19 119.34 38.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -144.6 121.11 11.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.953 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 60.75 29.76 19.23 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.898 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.13 7.12 83.83 Favored Glycine 0 C--N 1.322 -0.237 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.568 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -115.05 134.37 58.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -104.42 110.68 23.04 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -108.04 140.32 41.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -103.61 146.04 29.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.783 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -138.08 155.42 48.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.064 0.459 . . . . 0.0 110.504 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 2.2 m-20 -73.17 -27.72 61.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.056 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 16.7 t -168.56 -176.96 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.124 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -38.16 88.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.202 0.525 . . . . 0.0 109.871 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.51 -20.94 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.082 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.0 t70 -82.69 -15.03 53.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.175 0.512 . . . . 0.0 110.561 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.885 -179.656 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt -110.45 119.63 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.384 0.611 . . . . 0.0 109.937 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -83.48 113.8 21.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.9 mmm -64.74 -27.7 69.08 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.71 -10.41 59.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.915 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.67 -6.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.26 0.553 . . . . 0.0 110.235 176.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.721 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.7 t -121.83 125.28 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.869 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.614 ' HB2' HG23 ' A' ' 64' ' ' ILE . 26.7 mt-10 -87.25 133.66 33.64 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.272 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.488 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -97.97 113.32 32.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 164.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HD2' HG21 ' A' ' 64' ' ' ILE . 3.2 mtpt -99.91 108.72 21.03 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.79 0.805 . . . . 0.0 109.667 -170.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.488 HG23 HG13 ' A' ' 51' ' ' ILE . 41.0 t . . . . . 0 N--CA 1.444 -0.768 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.097 -174.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.852 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 39.4 p . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 32.76 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.473 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 1.2 mpp? -133.93 157.09 46.9 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.47 138.72 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.061 -0.399 . . . . 0.0 111.831 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.15 121.45 43.8 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.614 HG23 ' HB2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -127.89 117.0 44.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.433 0.635 . . . . 0.0 111.304 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.915 HD13 HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -125.43 118.25 24.87 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.605 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.1 Cg_exo -58.43 111.85 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.92 2.413 . . . . 0.0 112.077 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.98 -62.68 0.62 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.331 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -104.23 -60.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.689 -0.115 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' H ' HG23 ' A' ' 65' ' ' ILE . 11.1 pt20 48.16 -160.85 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.346 1.058 . . . . 0.0 113.561 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.5 t60 65.84 48.97 1.75 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.091 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.04 111.27 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -101.01 139.14 37.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.585 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -120.98 137.81 54.46 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -175.648 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.752 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 18.1 ttpp -150.38 120.27 7.12 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.08 -179.15 4.78 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.758 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.799 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.3 t -62.22 -57.74 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.093 0.473 . . . . 0.0 110.086 177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.459 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 11.0 p30 -142.65 175.03 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.603 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.27 -44.65 16.66 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -44.63 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.799 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.8 mm-40 -61.2 -38.63 87.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.254 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.852 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 22.0 ttp180 -57.23 -45.87 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.982 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 56.3 tp60 -62.41 -34.52 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HD3' ' OE1' ' A' ' 80' ' ' GLU . 68.1 mtp180 -66.08 -44.51 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.739 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.527 ' CZ2' HD21 ' A' ' 5' ' ' LEU . 94.9 m95 -66.67 -35.81 81.05 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 109.957 175.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.489 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.724 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.6 t -64.2 -51.6 66.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.792 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.19 20.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.452 . . . . 0.0 111.627 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.0 mt -74.89 -44.86 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.791 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.43 -36.75 93.57 Favored Glycine 0 CA--C 1.513 -0.055 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.131 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.5 m -61.98 -28.68 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.19 0.519 . . . . 0.0 110.172 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t -71.3 -36.02 71.5 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.713 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -70.78 -43.09 69.45 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 0.0 110.525 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.021 -179.614 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 62.0 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt -127.29 135.57 50.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.357 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.905 0.383 . . . . 0.0 111.339 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.44 -167.22 28.58 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.498 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.1 m -117.73 159.89 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.245 0.523 . . . . 0.0 110.6 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.754 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.8 159.79 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.717 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -68.53 127.7 33.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.292 172.666 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -121.18 117.7 27.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.058 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -73.38 131.75 42.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.652 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 p -117.95 -73.24 0.65 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -139.8 155.24 47.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -71.48 -17.25 62.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.974 0.416 . . . . 0.0 110.071 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.01 -41.42 64.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.678 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -84.91 -36.33 21.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.204 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.28 -102.84 2.62 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 7.1 p-90 -137.91 147.66 44.6 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 17.1 mm-40 -127.93 122.1 22.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 31.9 Cg_endo -64.26 123.75 12.32 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.062 1.841 . . . . 0.0 111.577 172.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.21 156.52 34.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.255 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -94.27 122.5 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.095 0.474 . . . . 0.0 110.262 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 89.9 m-85 -122.99 145.26 48.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.378 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -135.94 136.28 49.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.81 118.82 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -147.34 121.79 9.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.199 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 56.89 42.02 27.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.609 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.95 5.14 84.31 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.837 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 38.6 mm -116.45 132.34 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -104.48 109.0 20.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 p -108.82 148.79 30.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.05 0.452 . . . . 0.0 111.391 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -121.07 135.09 55.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.096 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.494 ' CD2' HG22 ' A' ' 36' ' ' VAL . 97.1 m-85 -132.33 170.68 14.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -71.55 -39.86 70.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.486 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 68.9 m -156.75 -178.21 7.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.208 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.6 -49.61 76.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.114 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 -30.78 71.12 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.104 0.478 . . . . 0.0 111.302 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.486 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.8 t70 -69.06 -24.01 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.508 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 30' ' ' TYR . 94.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.212 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.442 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 9.7 p . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.047 0.451 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.9 mt -112.56 124.28 69.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.164 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -79.5 114.65 18.59 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.081 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -62.82 -31.77 72.83 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.289 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.01 -9.62 58.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.882 HG13 HD13 ' A' ' 65' ' ' ILE . 9.1 p -124.62 2.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.781 0.8 . . . . 0.0 109.899 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.681 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 31.3 t -129.21 128.19 42.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.324 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.576 ' HB2' HG23 ' A' ' 64' ' ' ILE . 49.5 mt-10 -86.81 138.96 31.16 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.054 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.514 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.72 116.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 166.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HE2' HG21 ' A' ' 64' ' ' ILE . 29.5 mmtt -83.01 106.64 14.99 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.98 -169.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 92' ' ' LYS . 72.1 t . . . . . 0 N--CA 1.446 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.927 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.641 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 22.4 p . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -89.12 127.97 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -168.571 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.421 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.9 mpp? -141.14 157.83 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.895 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -123.43 141.21 52.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.842 -0.536 . . . . 0.0 111.074 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.04 120.47 41.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.747 HG21 ' HE2' ' A' ' 52' ' ' LYS . 1.2 tp -124.56 115.76 45.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.428 0.632 . . . . 0.0 111.56 -176.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.882 HD13 HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -128.45 114.05 19.62 Favored Pre-proline 0 N--CA 1.448 -0.551 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.672 177.647 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.677 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.5 Cg_exo -54.12 115.18 2.19 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.096 2.531 . . . . 0.0 112.945 -172.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.95 -55.21 0.55 Allowed Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.686 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 38.6 mt-10 -88.73 -71.84 0.57 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.624 ' H ' HG23 ' A' ' 65' ' ' ILE . 10.3 pt20 43.48 -157.72 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.427 1.08 . . . . 0.0 113.609 169.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 65.7 29.94 10.53 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.493 0.663 . . . . 0.0 109.95 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -105.25 111.75 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.703 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.43 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -106.97 141.48 38.12 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.754 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -121.17 137.03 54.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.143 -174.066 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 85.4 tttt -148.13 120.53 8.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 169.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.94 176.23 9.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.373 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.898 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.2 t -55.88 -54.68 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.064 0.459 . . . . 0.0 110.649 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.521 ' C ' HG22 ' A' ' 59' ' ' THR . 32.1 p30 -143.72 177.98 8.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.304 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -54.61 -39.18 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 111.22 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.06 88.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.834 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.898 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.6 mm-40 -60.87 -36.44 79.19 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.301 0.572 . . . . 0.0 110.349 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.641 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.75 -40.32 75.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.989 174.496 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.496 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.9 tp60 -64.92 -33.9 77.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.037 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 57.0 mtt180 -63.66 -44.1 94.77 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.096 0.474 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.518 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.9 m95 -68.27 -35.33 77.71 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.073 175.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.626 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.5 mp -63.15 -31.15 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.932 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.86 -51.64 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.09 25.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.084 0.469 . . . . 0.0 112.071 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 84' ' ' TRP . 23.4 mt -73.98 -40.13 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.612 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.94 -30.02 70.43 Favored Glycine 0 CA--C 1.512 -0.129 0 CA-C-N 115.773 -0.648 . . . . 0.0 113.327 -173.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -63.96 -30.78 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.8 m -69.77 -37.56 76.41 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.752 173.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.527 ' HD3' ' HB ' ' A' ' 53' ' ' VAL . 16.1 ttpp -59.46 -21.1 59.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.885 -177.508 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 0' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 78.9 t80 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tpt -140.35 139.7 35.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.452 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -140.39 163.68 32.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.578 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.33 24.4 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.431 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -112.26 157.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 117.666 0.733 . . . . 0.0 110.565 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 84' ' ' TRP . 3.6 mm? -132.41 150.07 52.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.187 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.676 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -71.49 119.84 16.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.808 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -123.52 123.41 40.55 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -85.56 128.95 34.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.579 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.0 p -109.98 -81.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.708 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -127.09 156.78 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -68.45 -21.97 64.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.42 -41.02 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.936 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.647 ' HB ' ' NE2' ' A' ' 16' ' ' GLN . 3.1 p -82.34 -40.4 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.292 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.49 -125.85 8.72 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.749 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.615 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.7 p-90 -110.22 136.38 49.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.647 ' NE2' ' HB ' ' A' ' 13' ' ' THR . 23.5 mp0 -121.37 120.88 28.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.526 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.96 126.24 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.277 1.985 . . . . 0.0 111.983 170.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.602 HH11 ' HA ' ' A' ' 31' ' ' ASP . 22.9 mmt180 -129.64 155.77 45.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -94.01 120.9 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 110.179 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 58.7 m-85 -115.97 148.91 39.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.54 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' HE2' ' A' ' 30' ' ' TYR . 34.7 m -135.58 135.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.999 0.428 . . . . 0.0 110.445 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.78 120.3 40.36 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -138.88 106.19 5.52 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 123.299 0.374 . . . . 0.0 110.451 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 49.22 64.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.53 -10.47 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.978 -0.63 . . . . 0.0 113.986 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mm -114.86 130.91 68.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.859 0.829 . . . . 0.0 111.128 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.6 111.28 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -113.27 144.38 42.82 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 122.312 -0.242 . . . . 0.0 111.025 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 41.2 p90 -117.89 139.04 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.691 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.536 ' HE2' HG22 ' A' ' 21' ' ' VAL . 71.1 m-85 -130.57 177.85 7.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.765 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HA ' HH11 ' A' ' 18' ' ' ARG . 13.0 t70 -69.02 -38.47 79.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.433 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 11.5 p -172.5 -171.93 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 -176.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -44.93 86.61 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.284 0.365 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.69 -39.65 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.861 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' A' ' 30' ' ' TYR . 26.6 t70 -74.0 -14.58 61.04 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.531 -172.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.499 . . . . 0.0 110.724 178.334 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.7 mt -110.89 120.72 62.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.568 0.699 . . . . 0.0 110.323 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -83.84 114.47 21.66 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.43 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.42 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -63.99 -28.85 70.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.965 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.24 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.995 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.885 HG13 HD13 ' A' ' 65' ' ' ILE . 8.2 p -125.0 0.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.525 0.678 . . . . 0.0 110.336 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.626 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 41.2 t -126.19 134.74 51.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.428 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.66 ' HB2' HG23 ' A' ' 64' ' ' ILE . 53.3 mt-10 -89.36 134.76 33.93 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.444 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.654 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.91 115.88 41.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 165.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -85.38 109.34 18.34 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.234 0.54 . . . . 0.0 109.766 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 51' ' ' ILE . 74.2 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.358 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.599 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 43.4 p . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -128.56 99.48 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.804 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.786 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.1 mpp? -141.78 155.35 45.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.603 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -136.58 141.59 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.095 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.01 120.28 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.66 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -124.86 116.07 46.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.553 0.692 . . . . 0.0 111.027 -178.068 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.885 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -126.38 115.2 23.33 Favored Pre-proline 0 N--CA 1.447 -0.579 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.739 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' A' ' 65' ' ' ILE . 43.4 Cg_exo -56.55 114.81 2.08 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.918 2.412 . . . . 0.0 112.279 -175.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.78 -58.63 0.69 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.804 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 24.5 mt-10 -101.91 -62.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.437 ' HG2' ' C ' ' A' ' 68' ' ' GLU . 17.1 pt20 46.28 -162.25 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.337 1.055 . . . . 0.0 113.564 171.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 67.9 40.78 2.26 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.382 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.65 112.34 23.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.789 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -108.45 146.94 32.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mtt -127.86 137.28 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.263 0.554 . . . . 0.0 112.205 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.676 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 78.8 tttt -138.28 122.11 17.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.225 166.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -79.72 -179.71 7.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.245 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.77 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 94.4 t -59.04 -55.74 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.11 0.481 . . . . 0.0 110.746 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.483 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -145.56 170.68 15.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.838 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -49.33 -42.71 42.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.35 97.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.009 0.433 . . . . 0.0 111.412 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.77 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 20.7 mm-40 -64.8 -33.69 76.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.595 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.786 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 26.8 ttt180 -58.63 -45.23 89.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.0 tp60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.787 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -62.26 -45.53 92.88 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.055 0.455 . . . . 0.0 111.035 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.499 ' HB3' HD12 ' A' ' 88' ' ' LEU . 92.8 m95 -68.84 -36.6 78.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 109.937 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.2 mp -60.34 -32.54 71.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.097 175.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 82' ' ' GLN . 41.8 t -62.78 -51.76 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.894 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.28 15.19 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.029 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.581 ' HB3' HG12 ' A' ' 51' ' ' ILE . 35.3 mt -73.48 -44.94 56.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.339 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.47 -33.27 86.79 Favored Glycine 0 C--O 1.229 -0.163 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.811 -173.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.9 m -65.24 -31.97 73.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.025 0.44 . . . . 0.0 110.193 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 t -70.51 -32.03 69.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.54 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HB2' HG23 ' A' ' 51' ' ' ILE . 14.3 tttm -70.14 -39.95 75.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.902 0.382 . . . . 0.0 111.076 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.857 -176.148 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 0' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 74.7 t80 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -140.06 140.29 36.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.264 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.7 153.45 49.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.79 -165.67 28.82 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.407 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.26 160.87 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 117.12 0.46 . . . . 0.0 110.39 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -133.22 151.73 51.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.202 176.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.741 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -67.9 119.79 13.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.982 171.465 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 1.7 tmtp? -116.96 116.64 27.77 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -74.4 123.03 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.126 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 p -106.26 -65.26 1.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -155.24 166.77 32.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -70.33 -26.89 63.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.723 0.297 . . . . 0.0 110.817 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.85 -41.58 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.037 0.446 . . . . 0.0 111.129 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 p -86.11 -27.2 24.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.546 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.8 -121.67 5.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.633 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.741 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.3 p-90 -113.7 145.18 41.73 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 21.6 mm-40 -130.75 121.88 19.29 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.426 176.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 37.9 Cg_endo -67.71 114.98 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.643 2.228 . . . . 0.0 111.883 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -112.32 154.24 25.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -93.58 127.79 39.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.7 m-85 -129.69 145.52 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.835 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.52 HG22 ' HE1' ' A' ' 30' ' ' TYR . 27.9 m -134.09 136.4 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.976 0.417 . . . . 0.0 110.064 174.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 27' ' ' LEU . 3.0 tm? -102.29 119.44 38.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -144.44 131.3 20.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.16 0.505 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 57.73 31.53 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.123 173.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.69 8.32 87.0 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.066 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.69 134.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.543 -0.386 . . . . 0.0 110.246 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -105.67 110.03 22.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -108.41 148.86 29.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -176.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -110.84 145.17 38.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 97.3 m-85 -133.96 162.63 31.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.484 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.53 -37.66 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.417 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 3.2 p -161.16 -176.72 5.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.889 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.19 -47.88 78.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.521 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.7 -19.16 62.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.61 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.4 t70 -68.39 -18.05 64.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.128 0.49 . . . . 0.0 110.226 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.656 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 90.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.915 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 121.003 0.43 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.31 120.15 60.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.563 0.697 . . . . 0.0 109.468 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HG2' HG12 ' A' ' 48' ' ' VAL . 22.0 ttmt -84.08 104.35 14.07 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.427 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.2 -26.87 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 111.585 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.62 63.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.937 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.683 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -125.36 -2.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.434 0.635 . . . . 0.0 110.372 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.838 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 33.6 m -122.36 127.94 50.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.255 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.767 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.6 mm-40 -87.93 128.99 35.37 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.297 0.57 . . . . 0.0 110.726 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.62 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -97.92 122.5 49.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.704 ' HE3' HG21 ' A' ' 64' ' ' ILE . 13.3 mmtp -84.58 107.08 16.61 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.721 -172.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.62 HG23 HG13 ' A' ' 51' ' ' ILE . 88.8 t . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.005 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.624 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 73.6 p . . . . . 0 N--CA 1.467 0.397 0 CA-C-O 121.104 0.478 . . . . 0.0 112.208 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -131.91 94.34 3.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.49 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.2 mpp? -139.24 153.86 47.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -136.76 139.74 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.002 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.94 121.01 43.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.767 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -123.42 115.7 46.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.451 0.643 . . . . 0.0 110.718 -179.182 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.838 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -130.28 119.94 18.83 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.936 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.9 Cg_exo -56.15 124.8 17.15 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.628 2.219 . . . . 0.0 111.96 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.68 -52.22 0.68 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.958 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 24.7 mt-10 -110.48 -68.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.74 -0.27 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 12.1 pt20 48.62 -161.46 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.081 0.952 . . . . 0.0 113.326 174.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 64.78 50.95 1.92 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.698 0.761 . . . . 0.0 110.104 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.72 116.34 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.992 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -110.42 139.32 45.76 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.481 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 28.6 mtt -121.42 136.85 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.181 0.515 . . . . 0.0 111.378 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.695 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 81.0 tttt -134.98 121.1 20.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.94 178.93 7.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.845 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 80.5 t -58.6 -55.88 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.692 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.471 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -142.73 171.51 13.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.194 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.71 -41.43 31.77 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.08 90.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.845 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 17.6 mm-40 -60.94 -36.11 78.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 109.92 177.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.624 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.73 -45.82 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.982 174.266 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 1.8 tt0 -68.31 -32.46 72.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.521 -176.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -61.44 -42.69 99.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.919 0.39 . . . . 0.0 110.631 176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -66.62 -38.84 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.145 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.599 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 6.7 mp -60.14 -32.72 71.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.507 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 82' ' ' GLN . 48.8 t -63.54 -51.74 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.006 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.97 25.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 111.597 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.452 ' HB3' HG12 ' A' ' 51' ' ' ILE . 25.4 mt -72.46 -37.26 68.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.235 0.54 . . . . 0.0 111.135 -176.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.85 -31.65 73.04 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.886 -0.674 . . . . 0.0 111.605 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -61.77 -35.91 79.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -66.8 -49.59 65.34 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.475 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -37.25 86.65 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.762 -178.654 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 90.0 t80 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -137.27 137.16 38.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.759 0.314 . . . . 0.0 111.173 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -143.5 162.09 36.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.991 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.44 179.87 22.91 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.511 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -106.2 157.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.213 0.53 . . . . 0.0 110.155 178.711 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -131.41 151.34 51.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.034 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.673 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -70.62 99.84 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.945 175.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -99.01 115.37 28.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.024 0.44 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.01 139.04 48.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.823 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -120.05 -68.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -143.38 163.23 33.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -62.79 -33.71 75.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.82 -41.07 62.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -84.25 -31.37 25.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.812 -176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.98 -119.16 5.03 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.616 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 12.4 p-90 -119.18 154.42 33.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 -177.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -127.71 123.0 22.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.676 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.55 105.37 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.6 2.2 . . . . 0.0 111.91 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 32.7 mmt180 -111.25 150.55 29.45 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.371 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.409 ' CE3' HG12 ' A' ' 4' ' ' VAL . 39.3 t-105 -94.16 125.47 38.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.249 -173.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 5' ' ' LEU . 58.1 m-85 -120.13 148.08 44.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.999 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -135.69 136.58 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.468 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.611 HD23 HD23 ' A' ' 27' ' ' LEU . 2.7 tm? -102.53 119.12 38.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.55 115.74 8.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -174.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 54.33 38.69 29.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.833 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 2.95 86.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.383 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 37.6 mm -113.43 128.14 70.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.903 0.383 . . . . 0.0 110.247 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD23 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -100.76 108.79 20.71 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 m -108.0 146.63 32.24 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.7 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -116.18 146.12 42.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.916 0.389 . . . . 0.0 110.022 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.488 ' CD2' HG22 ' A' ' 36' ' ' VAL . 72.8 m-85 -136.57 169.71 17.25 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.64 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.86 -38.43 91.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.025 0.44 . . . . 0.0 110.191 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.449 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 13.7 p -172.06 -173.26 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.031 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -56.34 -45.49 80.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.39 -33.49 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.035 -177.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HB3' ' H ' ' A' ' 32' ' ' SER . 32.5 t70 -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.006 -177.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 30' ' ' TYR . 95.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.27 0.557 . . . . 0.0 110.074 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 8.8 p . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -112.09 120.47 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.314 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HB3' HG12 ' A' ' 48' ' ' VAL . 31.9 ttmt -77.8 116.51 18.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.735 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.425 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -64.16 -30.84 71.88 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -9.76 54.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.655 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.915 HG13 HD13 ' A' ' 65' ' ' ILE . 9.8 p -126.2 1.21 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.223 0.535 . . . . 0.0 110.463 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.698 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.6 t -129.94 131.45 45.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -175.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.68 ' HB2' HG23 ' A' ' 64' ' ' ILE . 20.3 mt-10 -88.92 132.26 34.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.574 HG13 HG23 ' A' ' 53' ' ' VAL . 1.2 tp -98.61 119.59 46.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 165.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -84.24 106.95 16.26 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.397 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 51' ' ' ILE . 96.2 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.784 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.857 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 21.8 p . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -73.14 116.24 13.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.0 156.95 38.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.111 0.481 . . . . 0.0 111.17 165.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -121.01 143.81 48.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.481 -174.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.76 121.91 45.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.409 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -124.38 117.01 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.318 0.58 . . . . 0.0 110.779 -178.829 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.915 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.08 119.63 18.89 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.525 -178.274 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.615 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.2 Cg_exo -55.97 121.69 10.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.567 2.178 . . . . 0.0 111.659 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.4 -55.23 0.7 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -114.62 -65.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.512 ' HB2' HD12 ' A' ' 64' ' ' ILE . 9.3 pt20 52.77 -173.14 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 60.77 50.22 5.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.916 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.84 111.55 24.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.376 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -99.91 129.64 46.01 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.594 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 86.7 mtp -124.56 136.48 54.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.154 0.502 . . . . 0.0 109.841 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -132.5 127.01 34.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.9 177.72 8.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.862 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 t -59.91 -60.48 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.665 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.421 ' ND2' ' HG2' ' A' ' 80' ' ' GLU . 12.0 p30 -136.39 178.3 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.11 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -49.8 -47.61 51.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.98 0.512 . . . . 0.0 112.275 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.15 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.862 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 13.3 mm-40 -63.97 -38.46 91.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.353 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.857 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 10.7 ttt180 -59.26 -44.32 92.42 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.546 173.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 86' ' ' VAL . 57.5 tp60 -59.87 -33.01 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.553 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -63.35 -46.18 87.73 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.138 0.494 . . . . 0.0 110.409 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.494 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.5 m95 -65.07 -37.71 88.43 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.811 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.617 HD13 ' HG2' ' A' ' 81' ' ' ARG . 6.3 mp -63.11 -32.1 73.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.507 178.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.55 -51.84 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.853 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.34 22.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.995 0.426 . . . . 0.0 111.896 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 84' ' ' TRP . 44.7 mt -72.84 -39.98 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.593 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.85 -30.67 77.63 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.889 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -63.98 -28.41 69.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.1 m -70.14 -49.66 48.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.743 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.456 ' HE2' ' HB ' ' A' ' 53' ' ' VAL . 17.3 ttpp -56.84 -42.64 80.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.481 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.405 -177.641 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.5 t80 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -139.95 141.14 36.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.129 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.21 151.42 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.56 -170.26 33.49 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.04 160.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 117.309 0.554 . . . . 0.0 110.425 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' HG2' ' A' ' 73' ' ' MET . 3.0 mm? -135.26 150.97 50.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.199 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.765 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -74.61 120.08 19.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.065 172.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -113.78 117.56 31.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -67.9 131.48 45.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.818 0.342 . . . . 0.0 110.177 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -114.12 -79.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.53 162.25 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -63.09 -29.57 70.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.419 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.27 -40.75 64.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 111.588 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -88.08 -24.63 23.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.711 -177.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 -122.14 5.96 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.009 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.765 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.6 p-90 -108.75 144.08 37.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -177.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -130.86 122.76 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.987 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.35 131.05 14.64 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.67 2.247 . . . . 0.0 112.032 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -133.05 160.15 37.99 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -93.44 123.7 36.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.137 0.494 . . . . 0.0 110.268 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 55.8 m-85 -121.25 145.25 48.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.698 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 m -135.28 138.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.009 0.433 . . . . 0.0 110.424 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.521 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -100.57 118.78 37.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -134.63 106.6 7.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.001 0.905 . . . . 0.0 111.286 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 53.39 60.14 3.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.118 172.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.81 -8.7 58.98 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.772 -0.728 . . . . 0.0 114.055 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.89 136.21 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 117.495 0.648 . . . . 0.0 110.278 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 HD23 ' A' ' 22' ' ' LEU . 3.2 tm? -102.86 110.21 22.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -107.6 130.63 54.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.579 0.704 . . . . 0.0 111.364 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 31.2 p90 -100.67 140.99 34.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.022 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.9 m-85 -136.41 159.05 42.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.15 0.5 . . . . 0.0 110.024 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -76.21 -23.21 54.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.503 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.489 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 14.4 t -158.22 -174.08 4.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.881 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.49 -52.74 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.36 -21.53 66.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.76 0.791 . . . . 0.0 110.366 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 32' ' ' SER . 27.0 t70 -67.03 -20.81 65.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.837 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.604 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 97.0 t . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 121.124 0.487 . . . . 0.0 111.132 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 121.389 0.614 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.472 HG23 ' SG ' ' A' ' 49' ' ' CYS . 77.4 mt -111.82 120.72 62.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.184 -176.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 25.9 ttmt -83.91 103.65 13.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.943 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.6 mmm -57.98 -26.17 61.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.363 . . . . 0.0 111.707 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.37 -13.79 62.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.8 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -126.1 2.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.512 0.672 . . . . 0.0 109.971 176.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.906 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 37.5 m -127.87 117.96 22.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.818 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' ILE . 2.0 mp0 -87.35 135.26 33.39 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.414 0.626 . . . . 0.0 110.706 -176.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.682 HG13 HG23 ' A' ' 53' ' ' VAL . 1.9 tp -98.39 118.85 45.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 25.5 mmmt -85.07 107.75 17.32 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.433 0.635 . . . . 0.0 109.726 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.682 HG23 HG13 ' A' ' 51' ' ' ILE . 63.9 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.697 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.668 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 67.6 p . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -118.86 98.11 6.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.916 0.389 . . . . 0.0 111.202 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.465 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.3 mpp? -134.65 156.6 48.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 52' ' ' LYS . 28.2 tt0 -127.1 136.89 52.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -109.24 121.08 44.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -123.55 118.62 54.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 121.236 0.541 . . . . 0.0 110.918 -179.049 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.906 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -126.01 116.84 23.96 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.794 177.198 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.601 ' HD2' HD12 ' A' ' 65' ' ' ILE . 31.3 Cg_exo -59.0 113.22 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.959 2.439 . . . . 0.0 112.101 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.58 -59.89 0.68 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.861 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.52 -59.42 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 65' ' ' ILE . 25.5 pt20 45.04 -157.32 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.152 0.981 . . . . 0.0 113.188 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 t60 68.7 43.88 1.24 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.521 0.677 . . . . 0.0 110.154 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -117.0 112.09 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.485 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -105.64 142.55 35.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.442 ' HG2' ' HG ' ' A' ' 5' ' ' LEU . 19.9 mtt -121.75 137.85 54.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.117 0.484 . . . . 0.0 111.428 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.699 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 32.2 tttm -140.72 120.63 13.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 169.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.51 -178.23 6.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.765 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.5 t -60.83 -61.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 110.474 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.12 164.4 30.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.659 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.05 -40.94 15.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.58 98.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 0.0 111.684 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.765 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 9.5 mm-40 -60.96 -39.26 88.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.349 0.595 . . . . 0.0 109.761 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.668 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.3 ttp180 -57.75 -44.63 86.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.454 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.539 ' HB2' HH21 ' A' ' 81' ' ' ARG . 27.4 tp60 -61.97 -35.06 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.652 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -65.02 -44.63 88.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.594 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.408 ' HB3' HD12 ' A' ' 88' ' ' LEU . 91.5 m95 -62.88 -39.92 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.204 0.526 . . . . 0.0 110.129 173.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.532 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.5 mp -60.88 -32.85 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.82 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 82' ' ' GLN . 56.6 t -65.88 -51.59 59.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.558 0.218 . . . . 0.0 111.074 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.44 -49.16 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.607 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.1 mt -72.2 -37.02 69.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.049 0.452 . . . . 0.0 110.681 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.17 74.62 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.889 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -57.12 -41.23 78.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.5 t -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.781 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 22.1 ttpt -58.06 -40.55 81.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.023 0.439 . . . . 0.0 111.547 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.585 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.131 -177.83 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.605 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.44 145.89 37.57 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.047 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -157.6 149.14 21.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.735 0.302 . . . . 0.0 110.274 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.38 -167.96 35.79 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.464 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -113.75 160.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 117.636 0.718 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.5 mm? -135.29 158.45 44.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.933 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.726 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -71.39 99.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -98.62 118.28 34.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -69.8 132.21 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.597 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -116.2 -73.03 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.068 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -143.33 161.53 38.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -63.42 -26.26 68.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.832 0.349 . . . . 0.0 111.086 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.78 -41.57 62.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.39 . . . . 0.0 111.462 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -88.59 -24.12 22.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.992 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.2 -116.2 4.27 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.143 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.709 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.1 p-90 -111.0 144.95 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.833 0.349 . . . . 0.0 110.169 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -131.56 124.01 19.76 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.94 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.9 130.2 28.5 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.337 2.025 . . . . 0.0 111.524 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -132.82 150.71 52.13 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.405 ' H ' ' HD3' ' A' ' 18' ' ' ARG . 49.2 t-105 -94.21 126.2 39.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.22 0.533 . . . . 0.0 110.503 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD1' HD23 ' A' ' 5' ' ' LEU . 96.3 m-85 -126.04 148.52 49.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.851 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HD22 ' A' ' 27' ' ' LEU . 31.3 m -131.34 135.8 58.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 3.1 tm? -103.12 119.79 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 174.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 107.72 5.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.659 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.5 39.27 30.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.979 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 -3.16 82.1 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.728 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mm -107.57 131.46 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.788 0.328 . . . . 0.0 110.17 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 22' ' ' LEU . 2.1 tm? -108.25 109.87 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -109.79 144.5 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.79 0.328 . . . . 0.0 111.017 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -106.98 140.02 40.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.156 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 71.6 m-85 -138.23 156.23 47.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.146 0.498 . . . . 0.0 110.535 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -75.99 -28.29 57.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.086 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.478 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 40.5 p -158.47 178.39 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -66.28 -31.97 73.09 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.407 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' H ' ' A' ' 32' ' ' SER . 31.9 t70 -68.68 -19.36 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.599 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.441 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 92.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.482 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 71.8 mt -110.8 121.18 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.052 0.453 . . . . 0.0 109.937 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -85.5 112.2 20.69 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.014 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 90.6 mmm -66.83 -28.08 68.07 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.359 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.53 59.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.743 0.306 . . . . 0.0 111.526 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 65' ' ' ILE . 9.3 p -125.44 4.85 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.622 0.725 . . . . 0.0 110.057 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.771 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 18.7 t -125.39 128.32 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.607 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.581 ' HB2' HG23 ' A' ' 64' ' ' ILE . 8.1 mt-10 -89.31 132.89 34.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.459 0.647 . . . . 0.0 111.314 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.607 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -97.64 123.02 49.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 168.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 9.5 mmmm -84.99 108.12 17.45 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.841 -171.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.607 HG23 HG13 ' A' ' 51' ' ' ILE . 94.0 t . . . . . 0 N--CA 1.447 -0.602 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.867 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.902 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 19.8 p . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 110.884 -0.043 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.551 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 17.2 ptt180 36.01 99.86 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.618 ' HG3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -138.69 157.54 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.597 173.266 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -111.02 143.86 41.05 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.996 0.427 . . . . 0.0 111.789 -167.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -117.1 122.13 43.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.49 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -123.67 115.73 46.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.798 0.809 . . . . 0.0 110.791 -178.69 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.09 119.13 15.49 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.141 -177.439 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.579 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.5 Cg_exo -60.29 108.39 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.206 1.938 . . . . 0.0 111.823 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.24 -66.3 0.51 Allowed Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.993 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -97.9 -63.02 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.579 ' H ' HG23 ' A' ' 65' ' ' ILE . 12.2 pt20 49.22 -168.65 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.462 1.105 . . . . 0.0 113.092 176.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 64.93 27.87 12.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.321 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -93.73 111.49 23.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.405 0.622 . . . . 0.0 110.349 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.61 121.13 44.36 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.478 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 76.5 mtp -121.67 137.07 54.9 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.044 0.45 . . . . 0.0 109.951 -175.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.726 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 40.2 ttmt -132.27 129.46 39.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.23 177.33 6.91 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.261 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.873 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 63.7 t -58.67 -59.09 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.423 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.6 p30 -136.99 176.8 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.187 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -51.06 -42.99 60.9 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 83' ' ' ARG . . . -64.33 -41.97 96.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.958 0.408 . . . . 0.0 110.997 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.873 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 22.0 mm-40 -61.43 -39.62 91.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.468 0.652 . . . . 0.0 110.072 176.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.902 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.2 ttp180 -58.54 -44.28 89.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.73 174.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.3 tp60 -62.27 -32.86 73.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.806 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 79' ' ' ALA . 54.2 mtp180 -63.03 -45.89 90.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.287 0.565 . . . . 0.0 110.726 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -67.82 -36.38 80.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 61' ' ' MET . 5.9 mp -66.98 -30.24 70.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.797 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.1 t -64.2 -51.25 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.964 -0.46 . . . . 0.0 111.011 172.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.72 -49.18 41.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 111.337 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.29 -39.31 65.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.639 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 85' ' ' LEU . . . -65.25 -29.57 75.61 Favored Glycine 0 CA--C 1.511 -0.201 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.169 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.0 p -60.47 -31.34 70.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.314 0.578 . . . . 0.0 109.495 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -70.68 -36.24 73.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.695 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -68.91 -22.9 64.13 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.085 0.469 . . . . 0.0 110.474 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.461 175.089 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 0' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 76.3 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt -140.21 144.58 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.829 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.639 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -148.23 158.43 44.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.915 0.388 . . . . 0.0 111.617 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.27 -167.44 32.9 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.491 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -115.88 159.39 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.771 0.786 . . . . 0.0 110.932 179.143 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -134.96 154.08 51.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.372 177.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 2.8 m-85 -72.47 101.56 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.004 174.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 20.4 tptm -102.44 119.77 39.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.846 0.355 . . . . 0.0 110.646 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.431 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 65.7 t-105 -69.39 132.73 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 p -116.28 -72.54 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.76 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -136.11 156.8 48.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -67.19 -22.64 65.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.884 0.373 . . . . 0.0 110.566 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.85 -41.69 64.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -91.26 -24.66 19.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.16 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.75 -124.4 6.49 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.483 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.6 p-90 -101.57 145.7 28.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -131.37 123.89 19.86 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.095 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.86 125.57 13.92 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.451 2.101 . . . . 0.0 111.94 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 18' ' ' ARG . 8.8 mmt180 -124.36 151.37 44.45 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.072 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -93.79 119.85 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.072 0.463 . . . . 0.0 109.889 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.3 m-85 -117.77 150.4 39.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.706 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.639 HG12 ' HB3' ' A' ' 2' ' ' GLU . 34.2 m -133.45 134.43 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.918 0.39 . . . . 0.0 110.328 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -104.52 119.66 39.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.89 115.81 7.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 54.46 40.83 32.1 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.46 174.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.4 3.73 86.58 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.145 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -113.2 129.96 67.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.339 -0.506 . . . . 0.0 110.575 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 22' ' ' LEU . 2.4 tm? -107.2 110.62 22.73 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -109.95 145.22 37.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.327 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -111.25 138.28 47.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.339 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 36' ' ' VAL . 97.0 m-85 -129.1 178.1 6.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.98 -38.53 32.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.344 0.592 . . . . 0.0 110.001 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.5 p -169.75 -174.5 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.871 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.1 -39.22 94.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.54 -36.64 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.243 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.8 -19.5 60.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.581 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.558 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 92.5 t . . . . . 0 CA--C 1.518 -0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.777 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.72 120.11 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 110.223 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.19 117.23 21.55 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.165 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.8 mtp -65.23 -30.24 71.11 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.651 0.262 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.69 -10.21 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.814 HG13 HD13 ' A' ' 65' ' ' ILE . 7.3 p -125.36 0.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 109.913 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.739 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.1 t -130.82 123.81 29.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.146 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.583 ' HB2' HG23 ' A' ' 64' ' ' ILE . 36.1 mt-10 -87.71 140.44 29.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.398 0.618 . . . . 0.0 110.588 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.703 HG23 ' HB2' ' A' ' 92' ' ' LYS . 2.0 tp -99.78 121.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 171.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HE3' HG21 ' A' ' 64' ' ' ILE . 21.5 mmtp -84.23 108.81 17.32 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -172.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.622 HG23 HG13 ' A' ' 51' ' ' ILE . 55.2 t . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.364 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' HG2' ' A' ' 74' ' ' LYS . 38.9 p . . . . . 0 CA--C 1.528 0.132 0 N-CA-C 110.939 -0.023 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.48 94.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.566 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.7 mpp? -136.29 148.06 47.79 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.967 0.413 . . . . 0.0 110.597 176.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.51 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.2 tt0 -120.27 142.77 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.413 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.49 122.23 46.61 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.842 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -125.26 115.1 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.459 0.647 . . . . 0.0 111.199 -176.696 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.814 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.12 116.55 18.89 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.662 178.667 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.662 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.8 Cg_exo -54.02 123.14 12.76 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.345 2.696 . . . . 0.0 113.171 -173.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.98 -54.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -99.8 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 43.92 -154.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.9 t60 69.85 39.76 1.4 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.756 0.789 . . . . 0.0 109.329 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -115.22 112.15 22.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -108.54 134.3 51.5 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.629 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 87.3 mtp -131.23 135.96 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 17.2 ttpp -135.64 126.49 27.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.5 178.6 6.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.583 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.758 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.9 t -63.44 -60.91 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.621 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 80' ' ' GLU . 8.7 p30 -138.77 171.22 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.08 -40.13 22.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -174.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.88 97.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.054 0.454 . . . . 0.0 111.324 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.758 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 57.1 mm-40 -63.23 -36.33 83.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.615 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HG2' ' SD ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -57.28 -41.8 80.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.769 174.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.488 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.9 tp60 -67.82 -33.53 74.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.844 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.1 -44.78 95.91 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.307 0.575 . . . . 0.0 110.777 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.53 ' HB3' HD12 ' A' ' 88' ' ' LEU . 91.2 m95 -68.37 -35.52 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.1 mp -61.82 -32.16 72.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.494 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.5 t -63.28 -51.41 71.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.625 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.42 -50.43 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.557 -0.457 . . . . 0.0 112.078 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 84' ' ' TRP . 29.1 mt -72.96 -43.04 62.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.601 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.23 -30.17 73.2 Favored Glycine 0 C--O 1.234 0.147 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.733 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.2 t -57.57 -42.63 83.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.436 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 35.8 t -69.71 -33.12 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.901 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.703 ' HB2' HG23 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -66.08 -33.44 75.8 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-O 121.431 0.634 . . . . 0.0 110.402 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.094 -175.574 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 121.351 0.596 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.95 144.55 35.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.883 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.3 153.17 35.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.649 0.262 . . . . 0.0 110.661 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.66 -161.27 33.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.885 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 17' ' ' PRO . 2.2 t -121.46 133.95 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.707 0.289 . . . . 0.0 110.964 -174.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.4 mm? -120.49 152.61 37.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.686 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.6 m-85 -71.8 99.04 2.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.457 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -98.76 115.73 29.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.132 0.491 . . . . 0.0 110.046 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -71.63 135.18 46.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.014 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 p -112.53 -85.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.17 176.97 7.93 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -75.34 -32.1 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.508 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.75 -40.9 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 111.396 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.6 p -85.75 -25.35 26.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.748 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.43 -126.75 7.76 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.383 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.667 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.5 p-90 -108.49 148.82 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -130.86 125.93 21.53 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.776 ' HB2' HG11 ' A' ' 4' ' ' VAL . 91.5 Cg_endo -72.64 99.15 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.026 1.818 . . . . 0.0 111.51 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -90.35 152.79 20.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.736 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -93.63 116.91 29.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CD1' HD23 ' A' ' 5' ' ' LEU . 89.0 m-85 -111.69 149.3 31.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.23 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' HD22 ' A' ' 27' ' ' LEU . 34.4 m -134.16 135.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.521 176.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -103.75 121.3 42.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -145.42 110.06 5.05 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.403 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.32 52.42 11.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.567 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.24 3.59 76.78 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.525 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -115.58 132.43 65.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 122.411 -0.464 . . . . 0.0 110.585 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 22' ' ' LEU . 2.9 tm? -110.82 110.83 21.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 m -110.34 148.64 31.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.84 0.352 . . . . 0.0 110.98 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -115.27 136.0 53.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.488 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.6 m-85 -130.68 166.82 19.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.567 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.25 -38.62 75.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 66.8 m -165.79 -176.24 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -64.4 -36.64 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.098 0.408 . . . . 0.0 110.495 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.13 -33.03 71.58 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 110.958 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' HB3' ' H ' ' A' ' 32' ' ' SER . 34.4 t70 -78.19 -15.51 58.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.623 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.488 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 71.1 t . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.42 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.0 mt -111.12 122.37 65.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 110.485 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -81.12 115.49 20.58 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.641 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.508 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.5 mtp -65.29 -28.43 69.32 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.68 -10.55 59.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.85 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.39 0.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.594 0.712 . . . . 0.0 109.975 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.697 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -126.79 130.46 50.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.646 -175.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.673 ' HB2' HG23 ' A' ' 64' ' ' ILE . 39.5 mt-10 -88.37 134.31 33.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.17 0.509 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.595 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -99.11 118.95 46.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 168.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 11.5 mmmm -83.69 106.86 15.74 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.67 0.748 . . . . 0.0 109.72 -170.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.595 HG23 HG13 ' A' ' 51' ' ' ILE . 77.7 t . . . . . 0 C--N 1.318 -0.774 0 CA-C-N 114.321 -1.308 . . . . 0.0 108.741 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.6 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.6 p . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -124.34 97.06 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.579 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.483 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -140.49 149.59 42.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.773 178.49 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 21.3 tt0 -131.43 140.05 49.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.996 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.64 120.76 43.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.73 ' HA ' ' HG3' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -124.84 115.07 43.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.743 0.782 . . . . 0.0 111.325 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.85 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -125.76 118.28 24.3 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.096 177.204 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.748 ' HD2' HD12 ' A' ' 65' ' ' ILE . 76.3 Cg_exo -51.71 125.92 18.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.099 2.532 . . . . 0.0 113.068 -174.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.85 -46.48 1.22 Allowed Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.07 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HB2' ' H ' ' A' ' 69' ' ' GLN . 26.0 mt-10 -100.88 -89.31 0.35 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.622 0.248 . . . . 0.0 110.613 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.73 ' HG3' ' HA ' ' A' ' 64' ' ' ILE . 1.5 tt0 56.65 -145.33 0.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.264 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.636 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 14.3 t-160 61.59 34.16 17.9 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.49 0.716 . . . . 0.0 109.9 -172.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.93 112.05 23.25 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.434 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -110.37 138.48 46.7 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.8 mtt -122.45 137.56 54.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.362 0.601 . . . . 0.0 111.755 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.686 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 56.9 tttm -139.73 126.55 20.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 168.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -84.55 -177.95 6.75 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.204 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.898 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.4 t -62.15 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.19 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.436 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 32.4 p30 -136.94 172.77 12.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.331 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -45.44 -43.44 11.38 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.12 95.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.958 0.409 . . . . 0.0 111.089 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.898 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 14.0 mm-40 -61.53 -40.34 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.467 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.6 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 25.3 ttp180 -57.67 -42.92 84.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.625 175.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.8 tp60 -64.51 -35.16 80.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.134 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -64.4 -44.84 90.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.542 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.3 m95 -67.14 -37.5 83.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.265 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 81' ' ' ARG . 4.6 mp -60.59 -33.15 72.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.419 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.6 t -64.09 -51.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.054 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -49.9 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.078 0.466 . . . . 0.0 111.676 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' A' ' 51' ' ' ILE . 28.4 mt -72.78 -44.16 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.636 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.7 86.29 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.751 -174.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.2 t -64.59 -27.68 69.11 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.1 t -69.85 -42.83 73.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.133 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -60.89 -30.87 70.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.317 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.296 -178.416 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 0' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 35.1 t80 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.415 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.3 tpt -137.21 139.9 41.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.879 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -139.96 147.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.498 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.65 -178.88 28.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.49 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -106.38 156.52 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 117.259 0.53 . . . . 0.0 110.486 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -133.92 158.37 43.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.178 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.45 124.08 23.33 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.304 173.384 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -119.49 116.57 26.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -70.97 122.68 20.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -103.63 -79.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.914 0.387 . . . . 0.0 110.99 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.41 162.87 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -65.25 -26.85 68.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.596 0.236 . . . . 0.0 111.242 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.48 -41.97 62.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.597 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -86.01 -28.02 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.841 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.75 -86.8 1.51 Allowed Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.8 p-90 -152.99 154.19 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.612 0.244 . . . . 0.0 110.353 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 mm-40 -131.8 123.44 19.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.381 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 30.4 Cg_endo -63.03 114.98 2.68 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.722 2.281 . . . . 0.0 112.093 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -110.9 154.29 24.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.825 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -94.05 122.43 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.3 147.59 44.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.139 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.24 136.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 27' ' ' LEU . 2.7 tm? -101.98 119.96 39.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -139.9 108.19 5.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 52.12 60.91 3.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.643 173.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.82 -5.36 48.07 Favored Glycine 0 N--CA 1.454 -0.122 0 CA-C-N 116.164 -0.471 . . . . 0.0 113.876 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mm -111.64 133.15 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.961 0.41 . . . . 0.0 110.677 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -108.69 111.02 22.59 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -107.44 146.16 32.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.841 0.353 . . . . 0.0 110.979 -176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -115.0 135.55 54.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.674 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -130.77 161.28 32.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.743 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.73 -25.61 37.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.651 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 t -160.24 -174.07 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.636 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -73.58 -48.06 35.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.824 0.345 . . . . 0.0 110.75 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.17 -23.99 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.391 0.615 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.31 -21.59 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.676 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.867 178.594 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.7 120.61 61.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.441 0.639 . . . . 0.0 110.372 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -83.0 108.7 16.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.641 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.63 -27.59 69.34 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.88 -15.58 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.846 HG13 HD13 ' A' ' 65' ' ' ILE . 8.0 p -124.95 1.29 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.139 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.693 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.3 t -126.88 127.69 45.33 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.405 -176.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.717 ' HB2' HG23 ' A' ' 64' ' ' ILE . 27.7 mt-10 -88.41 137.32 32.43 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.499 0.666 . . . . 0.0 111.252 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.631 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -98.86 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.768 ' HE2' HG21 ' A' ' 64' ' ' ILE . 31.2 mmtt -84.05 108.34 16.94 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.424 0.631 . . . . 0.0 110.143 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.631 HG23 HG13 ' A' ' 51' ' ' ILE . 87.6 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.173 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.633 ' HB ' ' HG3' ' A' ' 74' ' ' LYS . 72.6 p . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -145.31 97.4 2.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 111.455 -178.14 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.616 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.2 mpp? -140.84 156.35 46.15 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.152 -0.342 . . . . 0.0 110.344 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -134.23 137.92 44.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.322 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.6 mm? -108.38 120.93 43.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.768 HG21 ' HE2' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -122.93 116.01 47.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.485 0.659 . . . . 0.0 110.976 -177.769 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.846 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.7 119.2 14.87 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.883 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.617 ' HD2' HD12 ' A' ' 65' ' ' ILE . 31.6 Cg_exo -59.59 110.77 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.618 2.212 . . . . 0.0 111.927 -179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.95 -62.52 0.6 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -99.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.509 ' H ' HG23 ' A' ' 65' ' ' ILE . 22.6 pt20 47.61 -165.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.438 1.095 . . . . 0.0 112.969 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 65.55 36.69 6.42 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.872 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 85.5 m-85 -103.37 111.68 24.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.646 175.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.469 ' CD1' ' HE2' ' A' ' 6' ' ' TYR . 10.6 t80 -99.11 139.26 35.01 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.532 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 0.3 OUTLIER -120.2 135.43 54.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -175.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 83.7 tttt -147.54 120.84 8.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -81.5 -174.92 5.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.325 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.959 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 78.4 t -63.35 -57.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.489 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.456 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.0 p30 -142.63 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.167 177.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.02 -43.78 14.67 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.25 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.033 0.444 . . . . 0.0 111.201 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.959 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 7.5 mm-40 -61.37 -38.81 88.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.287 176.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.584 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.1 ttp180 -57.64 -41.23 80.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.787 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' VAL . 28.9 tp60 -65.17 -34.52 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 69.2 mtt180 -67.67 -43.83 79.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 111.306 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.515 ' CE2' HD21 ' A' ' 5' ' ' LEU . 95.2 m95 -67.21 -34.84 78.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 109.975 174.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 81' ' ' ARG . 4.8 mp -60.87 -33.21 72.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.624 175.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.7 t -64.97 -51.79 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.229 176.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.6 -50.75 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.978 0.418 . . . . 0.0 111.766 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 84' ' ' TRP . 26.8 mt -74.96 -45.38 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.161 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.55 84.59 Favored Glycine 0 C--O 1.233 0.08 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.266 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 p -67.32 -25.53 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 110.45 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.1 t -67.22 -38.39 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.107 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -68.11 -29.32 68.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.848 0.356 . . . . 0.0 111.04 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -178.308 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.448 -0.569 0 CA-C-O 121.045 0.45 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.11 137.58 34.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -148.66 151.45 34.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.644 0.259 . . . . 0.0 110.694 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.12 -176.62 36.8 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.505 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.73 152.15 9.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 117.576 0.688 . . . . 0.0 110.23 179.543 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.62 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -132.06 157.97 42.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.695 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -75.17 98.51 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.18 176.185 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 18.0 tptm -98.51 116.71 31.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.03 0.443 . . . . 0.0 110.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.446 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 46.8 t-105 -64.88 124.33 21.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.471 173.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -108.15 -73.03 0.7 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -134.31 161.56 34.63 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -66.48 -23.83 66.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.94 -41.66 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.227 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -90.36 -25.73 20.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.748 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.9 -91.42 1.5 Allowed Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.695 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.7 p-90 -136.56 151.86 49.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.776 0.322 . . . . 0.0 110.391 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -131.35 123.39 19.56 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.365 174.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.41 95.72 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.3 tpp180 -108.27 160.46 15.83 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -93.36 124.41 37.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 -171.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 80.4 m-85 -121.12 148.2 44.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.672 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG22 ' HE1' ' A' ' 30' ' ' TYR . 29.6 m -136.02 138.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 27' ' ' LEU . 1.1 tm? -102.04 120.56 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -136.19 107.98 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.406 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 52.72 46.63 26.36 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.038 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.92 -1.76 86.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.125 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.19 128.2 70.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 122.42 -0.459 . . . . 0.0 110.389 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -100.78 110.46 22.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.7 m -111.9 139.76 47.11 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.687 -175.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 33.0 p90 -107.59 138.95 42.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.632 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 90.1 m-85 -128.35 164.73 22.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.775 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.525 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 22.4 t70 -70.86 -36.71 72.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.214 0.531 . . . . 0.0 110.086 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.488 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 22.7 t -153.71 -175.07 5.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.786 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -72.75 -40.58 65.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.838 0.352 . . . . 0.0 110.289 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.67 -27.34 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.418 0.628 . . . . 0.0 110.76 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB3' ' H ' ' A' ' 32' ' ' SER . 37.4 t70 -68.32 -20.72 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.645 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.632 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 99.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.76 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.23 122.26 65.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.321 0.582 . . . . 0.0 110.747 -175.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -81.09 115.6 20.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.404 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.4 mtp -65.12 -30.92 71.89 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 111.19 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.14 -10.27 48.46 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.904 HG13 HD13 ' A' ' 65' ' ' ILE . 9.8 p -125.87 2.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.701 0.762 . . . . 0.0 110.159 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.577 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.5 t -124.54 129.77 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.511 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.68 129.46 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.963 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.639 HG13 HG23 ' A' ' 53' ' ' VAL . 1.9 tp -98.41 115.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 170.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -85.35 107.52 17.39 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.921 -0.711 . . . . 0.0 109.431 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.639 HG23 HG13 ' A' ' 51' ' ' ILE . 78.9 t . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.304 -175.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.774 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 30.2 p . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -96.36 106.65 18.91 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.857 -0.527 . . . . 0.0 110.899 -173.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.641 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 0.3 OUTLIER -142.71 148.66 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.241 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.8 141.58 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.539 0.209 . . . . 0.0 110.589 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 51' ' ' ILE . 4.5 mm? -113.96 121.37 43.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.73 116.04 46.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.503 0.668 . . . . 0.0 111.129 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.904 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.82 116.09 16.96 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 114.847 -1.07 . . . . 0.0 108.955 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.582 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.9 Cg_exo -54.29 116.65 3.21 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.073 2.516 . . . . 0.0 112.669 -176.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.24 -60.83 0.58 Allowed Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.324 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.62 -68.53 0.8 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.453 ' H ' HG23 ' A' ' 65' ' ' ILE . 13.7 pt20 46.73 -165.44 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.458 1.103 . . . . 0.0 113.736 172.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.1 t60 67.63 32.93 5.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.981 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -100.8 112.87 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.924 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -94.08 140.52 29.64 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.641 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 1.3 tpt -121.52 137.08 54.88 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.695 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 35.3 tttp -153.24 122.66 6.69 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.25 7.85 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.481 -177.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.482 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 66.4 t -56.57 -55.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.092 0.472 . . . . 0.0 110.772 -179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.478 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -140.38 174.01 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.263 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -53.29 -40.71 64.94 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -63.64 -43.64 96.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 177.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.482 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 50.7 mm-40 -62.72 -34.37 77.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.705 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.774 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -57.05 -42.49 80.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.717 172.568 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.6 tp60 -62.63 -33.82 75.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 -177.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.19 -45.79 86.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.185 0.516 . . . . 0.0 110.474 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.573 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -67.33 -36.01 80.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.036 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -61.45 -32.19 72.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.604 177.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.8 t -64.13 -51.76 64.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.994 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.79 21.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.107 0.48 . . . . 0.0 111.803 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 46' ' ' MET . 28.5 mt -72.2 -43.64 64.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.51 -29.71 75.9 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.425 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.8 t -60.74 -32.27 71.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.3 t -70.34 -38.44 74.87 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.442 176.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 51' ' ' ILE . 20.7 tttp -63.7 -22.13 66.74 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.776 176.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt -140.02 140.06 36.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.137 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.23 155.36 49.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.808 0.337 . . . . 0.0 110.599 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.12 29.63 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.472 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.6 159.62 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.119 0.46 . . . . 0.0 110.398 179.041 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.472 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -135.07 152.63 51.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.494 -0.775 . . . . 0.0 108.955 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.716 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.53 119.83 15.27 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 170.804 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -110.47 118.74 37.07 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.517 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -73.07 105.46 4.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -83.75 -75.04 0.35 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.095 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -142.17 158.59 43.56 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -67.14 -20.08 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.109 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.2 -40.55 64.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.024 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p -84.89 -44.77 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.14 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.41 -123.92 8.08 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.864 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.664 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -104.77 133.88 48.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 -178.574 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -131.0 124.32 20.51 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.05 129.78 14.61 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.496 2.131 . . . . 0.0 112.279 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 31.0 mmt180 -131.18 159.9 36.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.248 176.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -94.38 126.59 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 110.47 -173.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 94.9 m-85 -127.54 145.92 50.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.754 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.437 HG22 ' HE2' ' A' ' 30' ' ' TYR . 23.4 m -135.81 138.07 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.763 0.316 . . . . 0.0 110.471 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -101.84 120.06 39.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -138.61 110.52 7.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.627 0.727 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.31 56.64 6.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.124 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 3.87 59.36 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.609 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -114.64 129.51 70.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 122.385 -0.48 . . . . 0.0 110.16 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.459 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.12 108.61 20.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.3 p -108.84 147.97 31.3 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.765 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.457 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 13.2 p90 -118.59 141.08 48.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.344 -177.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' A' ' 36' ' ' VAL . 84.3 m-85 -128.57 169.98 13.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.362 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -76.62 -38.79 54.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.004 0.43 . . . . 0.0 110.46 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.443 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 49.2 m -150.74 -177.83 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.693 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.21 -48.13 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.178 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.66 -26.34 65.46 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.527 0.68 . . . . 0.0 111.291 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HB3' ' H ' ' A' ' 32' ' ' SER . 34.9 t70 -69.16 -14.34 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.858 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.488 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 78.0 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 178.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.982 0.42 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -112.93 120.72 63.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HG2' HG12 ' A' ' 48' ' ' VAL . 27.7 ttmt -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.436 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -64.67 -31.08 72.14 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.941 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.43 -13.78 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 65' ' ' ILE . 9.7 p -125.03 0.69 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.463 0.649 . . . . 0.0 110.236 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.77 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.9 t -129.25 124.5 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.3 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.577 ' HB2' HG23 ' A' ' 64' ' ' ILE . 44.9 mt-10 -88.05 134.54 33.72 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.074 0.464 . . . . 0.0 110.524 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.599 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -98.67 119.26 46.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HG3' ' OE1' ' A' ' 62' ' ' GLU . 4.8 mmmm -85.42 107.48 17.41 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.606 0.717 . . . . 0.0 110.057 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.599 HG23 HG13 ' A' ' 51' ' ' ILE . 98.5 t . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.673 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.672 HG22 ' HB3' ' A' ' 75' ' ' ALA . 21.7 p . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -163.43 98.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.528 . . . . 0.0 111.599 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.601 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.7 mpp? -135.16 151.51 50.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.5 tt0 -123.23 136.17 54.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.574 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.39 120.13 41.52 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.577 HG23 ' HB2' ' A' ' 50' ' ' GLU . 1.1 tp -122.49 115.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.605 0.717 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.903 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -132.7 119.57 16.15 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.825 -1.079 . . . . 0.0 108.798 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.698 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.0 Cg_exo -54.16 135.63 65.14 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.823 2.349 . . . . 0.0 112.63 -178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.72 -44.37 1.95 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.292 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.8 mt-10 -107.95 -74.39 0.66 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.588 ' H ' HG23 ' A' ' 65' ' ' ILE . 12.7 pt20 46.38 -158.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.368 1.067 . . . . 0.0 112.645 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 68.4 29.07 5.93 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.909 0.861 . . . . 0.0 109.804 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -107.55 110.52 22.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.282 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -111.43 143.5 42.16 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 mtt -121.97 136.99 54.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 111.41 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.716 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 16.1 ttpp -136.96 119.23 15.62 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.84 -174.84 3.22 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.683 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.686 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 58.8 t -62.76 -61.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.975 0.417 . . . . 0.0 109.984 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.455 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.2 p-10 -140.44 167.73 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.746 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.33 -41.42 28.32 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.7 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.489 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.686 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 56.1 mm-40 -64.09 -36.22 83.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.601 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 5.3 ttp180 -57.24 -41.02 78.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.002 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.2 tp60 -63.08 -33.36 75.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.648 -177.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -63.88 -45.81 87.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.35 0.595 . . . . 0.0 110.188 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.544 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.8 m95 -67.52 -35.62 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.235 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -61.67 -33.19 73.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.24 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.9 t -63.05 -51.12 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.971 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.74 18.57 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' A' ' 84' ' ' TRP . 35.8 mt -72.27 -43.43 64.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.677 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.48 -29.05 65.82 Favored Glycine 0 C--N 1.329 0.15 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.174 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -55.77 -40.55 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.947 0.403 . . . . 0.0 110.477 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 33.3 t -70.22 -44.12 69.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.054 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -57.92 -39.04 77.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.289 0.566 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.855 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.546 179.554 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 87.4 t80 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.799 0.333 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -135.19 140.67 45.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.128 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.24 150.85 45.98 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.106 0.254 . . . . 0.0 110.486 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.47 -163.59 29.96 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.418 HG12 ' CE3' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -121.82 160.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.259 0.529 . . . . 0.0 110.358 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.491 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -132.46 154.56 49.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.625 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -66.09 119.38 11.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.101 172.469 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -114.28 116.57 29.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.698 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -75.86 124.86 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -109.88 -72.96 0.7 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -142.37 160.54 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -69.57 -19.92 63.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.751 0.31 . . . . 0.0 110.865 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.28 -41.36 63.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -87.26 -33.28 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.607 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.79 -104.17 3.11 Favored Glycine 0 N--CA 1.441 -1.012 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.309 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 6' ' ' TYR . 8.2 p-90 -136.61 150.04 48.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 87.4 mt-30 -130.72 122.61 19.7 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 36.8 Cg_endo -66.25 108.34 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.575 2.183 . . . . 0.0 111.688 173.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.544 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 1.1 tpm_? -106.93 154.04 21.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.418 ' CE3' HG12 ' A' ' 4' ' ' VAL . 51.9 t-105 -94.0 131.96 38.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.042 0.448 . . . . 0.0 110.455 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.94 143.22 50.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.982 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.27 135.93 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.477 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 HD23 ' A' ' 27' ' ' LEU . 3.0 tm? -102.21 120.21 40.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.04 107.05 8.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.676 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 47.24 62.23 2.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 173.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 81.61 -7.81 60.84 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.133 -0.556 . . . . 0.0 114.403 176.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -117.14 132.16 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 118.088 0.944 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.516 HD23 HD23 ' A' ' 22' ' ' LEU . 3.3 tm? -107.49 110.93 22.98 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -107.53 148.57 29.06 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.985 -0.447 . . . . 0.0 111.153 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -121.55 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.986 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 95.8 m-85 -142.87 177.44 8.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.762 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.93 -39.13 51.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 111.218 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.526 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 6.0 p -157.3 -176.2 5.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -174.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -63.36 -51.38 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.589 -176.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.71 -27.94 67.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.264 0.554 . . . . 0.0 110.738 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.526 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.2 t70 -71.86 -6.3 40.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.129 -176.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.541 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 53.8 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.117 0.484 . . . . 0.0 111.004 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 121.54 0.686 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.2 mt -113.01 120.22 62.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.012 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.608 ' HB3' HG12 ' A' ' 48' ' ' VAL . 80.4 tttt -82.92 106.67 14.94 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 95.2 mmm -62.6 -26.87 68.82 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 120.903 0.382 . . . . 0.0 111.854 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.48 -8.77 57.87 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.824 HG13 HD13 ' A' ' 65' ' ' ILE . 6.8 p -124.97 2.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.707 0.765 . . . . 0.0 109.633 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.781 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -132.08 118.83 20.16 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.747 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HB2' HG23 ' A' ' 64' ' ' ILE . 23.5 mp0 -85.93 137.15 32.95 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.471 0.653 . . . . 0.0 110.686 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.659 HD11 ' HB3' ' A' ' 61' ' ' MET . 1.4 tp -98.04 118.55 44.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -83.99 108.39 16.93 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.457 0.646 . . . . 0.0 109.41 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 51' ' ' ILE . 71.7 t . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 20.8 p . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -124.46 101.16 7.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.627 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.799 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.2 mpp? -140.31 147.32 39.72 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.42 132.47 51.49 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.902 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.0 119.38 38.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.85 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -123.17 114.95 44.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -178.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.824 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -122.16 110.93 32.43 Favored Pre-proline 0 N--CA 1.443 -0.798 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' A' ' 65' ' ' ILE . 46.3 Cg_exo -55.86 112.18 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.576 2.851 . . . . 0.0 113.043 -171.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.15 -64.77 0.6 Allowed Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.425 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 31.9 mt-10 -95.2 -58.34 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 10.1 pt20 43.91 -150.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.041 0.838 . . . . 0.0 112.8 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 73.98 36.36 0.71 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.661 0.743 . . . . 0.0 110.244 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -117.84 111.74 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.865 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.445 ' HD2' ' HE1' ' A' ' 6' ' ' TYR . 62.8 t80 -111.16 143.05 42.52 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.491 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 31.7 mtt -121.47 136.48 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.619 0.723 . . . . 0.0 111.527 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 71.1 tttt -142.43 120.69 12.27 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 171.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.99 179.05 8.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.009 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.601 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 95.4 t -57.05 -56.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.852 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.0 p-10 -143.58 166.08 25.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.362 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.98 -41.64 25.79 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.226 0.329 . . . . 0.0 111.879 -173.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.451 ' HB3' ' ND2' ' A' ' 77' ' ' ASN . . . -61.27 -43.02 99.56 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.013 0.435 . . . . 0.0 111.779 176.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.601 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 35.5 mm-40 -63.0 -32.25 73.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.799 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 25.5 ttt180 -57.92 -40.3 80.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.857 173.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.0 tp60 -61.66 -35.55 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.875 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -61.48 -46.25 90.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.794 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.497 ' HB3' HD12 ' A' ' 88' ' ' LEU . 97.0 m95 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.106 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.8 mp -62.56 -32.16 73.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.511 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.3 t -63.42 -51.3 72.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.676 176.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.53 15.59 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.885 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.2 mt -73.33 -39.61 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.905 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.4 77.43 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 121.306 -0.474 . . . . 0.0 112.593 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 m -61.52 -36.55 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.192 0.52 . . . . 0.0 109.834 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.8 t -69.46 -43.38 73.38 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.6 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.55 ' HB2' HG23 ' A' ' 51' ' ' ILE . 14.6 tttm -64.24 -37.43 87.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.805 179.726 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.173 -0.371 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.827 ' HB2' ' HG2' ' A' ' -1' ' ' GLU . 50.5 Cg_endo -70.33 121.45 8.02 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.545 2.163 . . . . 0.0 112.032 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -133.05 104.72 6.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.572 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 81.19 -58.46 4.84 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.175 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.0 t -62.33 140.78 96.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 C-N-CA 122.749 0.42 . . . . 0.0 110.279 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.79 127.76 22.18 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.163 2.576 . . . . 0.0 112.585 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.827 ' HG2' ' HB2' ' A' ' -6' ' ' PRO . 4.6 mt-10 -81.44 69.2 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.942 -175.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -125.95 137.67 53.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.215 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt -139.97 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.631 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.51 150.11 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.593 0.235 . . . . 0.0 110.452 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.0 -156.63 27.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.741 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.498 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.2 m -123.94 162.3 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 117.132 0.466 . . . . 0.0 110.623 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.54 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.6 mm? -136.47 154.0 50.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.533 176.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.703 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -70.43 125.51 26.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.887 171.259 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -122.4 123.8 42.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.07 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -73.27 132.34 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.116 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 p -116.6 -71.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -145.84 164.12 32.92 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -70.0 -27.68 64.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.642 0.258 . . . . 0.0 111.061 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.55 -41.7 65.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -83.08 -28.84 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.216 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.55 -105.23 2.9 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.823 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.703 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 6.2 p-90 -132.23 144.98 51.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 65.2 mt-30 -131.14 122.87 19.43 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.559 0.219 . . . . 0.0 110.531 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 39.5 Cg_endo -67.56 130.6 22.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.499 2.132 . . . . 0.0 111.781 174.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -126.21 154.77 42.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -92.94 129.14 38.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.142 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 29' ' ' TYR . 97.7 m-85 -132.56 141.51 48.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -133.0 137.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 HD23 ' A' ' 27' ' ' LEU . 3.2 tm? -102.72 118.67 37.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -147.8 133.17 18.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 59.47 28.23 17.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.598 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 83.47 7.0 87.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -116.64 135.27 57.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.478 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.7 109.19 21.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 p -108.81 148.87 29.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.076 0.465 . . . . 0.0 111.506 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 34.0 p90 -115.55 143.14 45.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.669 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.617 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 87.2 m-85 -136.86 164.44 28.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.781 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.46 -37.17 63.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.239 0.542 . . . . 0.0 110.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.511 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 74.5 m -158.88 179.68 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.769 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.04 -44.78 87.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.951 0.405 . . . . 0.0 110.687 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.29 -33.37 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.533 . . . . 0.0 110.897 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 35.3 t70 -68.07 -24.62 65.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.921 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.617 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 72.1 t -60.48 -39.67 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.293 0.568 . . . . 0.0 110.548 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.4 m -71.73 -22.9 61.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.549 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 35.1 mmtt -70.09 -23.98 63.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.305 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.98 127.89 4.8 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.2 p -58.26 132.69 54.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.117 0.484 . . . . 0.0 112.118 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -92.24 -21.83 20.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.886 175.422 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.3 158.02 29.12 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m -151.5 162.58 40.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.979 0.389 . . . . 0.0 110.759 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.19 119.75 60.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.499 ' O ' HG12 ' A' ' 48' ' ' VAL . 76.8 tttt -86.35 95.38 9.63 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.727 -174.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.737 ' O ' HD21 ' A' ' 95' ' ' LEU . 94.9 mmm -54.28 -33.4 58.55 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.794 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.22 -10.78 45.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.704 HG13 HD13 ' A' ' 65' ' ' ILE . 5.9 p -125.16 -0.95 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.406 0.622 . . . . 0.0 110.118 176.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.95 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 34.7 m -120.6 132.51 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.751 ' HB2' HG23 ' A' ' 64' ' ' ILE . 34.6 mt-10 -89.53 131.11 35.72 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.397 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -98.27 115.11 37.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.3 mmmt -85.34 108.32 17.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.319 0.58 . . . . 0.0 110.001 -170.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 51' ' ' ILE . 70.2 t -133.7 120.52 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.352 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -105.51 -89.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.15 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 m -141.88 -53.49 0.44 Allowed 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.309 -0.156 . . . . 0.0 111.353 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 115.57 1.91 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.064 0.459 . . . . 0.0 111.792 -174.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.636 ' HA ' ' CZ ' ' A' ' 81' ' ' ARG . 39.6 m-20 -77.22 95.93 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.159 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.674 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 25.4 t-20 -164.38 168.74 18.24 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.582 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.564 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p -60.81 -8.89 3.38 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -163.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.497 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -93.65 114.96 27.39 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -167.179 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.489 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.6 mpp? -134.81 156.48 48.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 175.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -126.7 138.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 122.363 -0.211 . . . . 0.0 110.965 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -113.23 121.77 45.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 109.905 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.751 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -126.16 116.6 46.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.391 0.615 . . . . 0.0 111.137 -179.137 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.95 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.66 114.31 24.99 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.516 177.385 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 65' ' ' ILE . 42.5 Cg_exo -56.32 112.97 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.961 2.441 . . . . 0.0 112.968 -171.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.92 -57.35 0.69 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.64 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 33.8 mt-10 -97.06 -69.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 8.9 pt20 48.77 -162.7 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 168.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.5 37.79 5.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -103.81 112.21 25.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.276 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.447 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 18.1 t80 -104.25 128.64 52.02 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.54 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 90.2 mtp -121.53 136.79 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 109.962 -177.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 36.6 ttmt -143.36 124.17 14.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.046 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.21 -178.83 7.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.629 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.736 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.4 t -61.17 -58.98 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.458 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 31.6 p30 -137.74 174.14 10.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.149 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.674 ' HB2' ' HA ' ' A' ' 58' ' ' ASN . . . -53.96 -37.3 63.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.367 . . . . 0.0 111.429 -177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.87 83.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.674 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.736 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 23.1 mm-40 -60.68 -40.19 91.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.416 0.627 . . . . 0.0 110.106 175.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -57.93 -38.48 76.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.6 175.025 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 86' ' ' VAL . 55.3 tp60 -64.58 -34.22 77.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.56 -45.27 94.85 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.476 0.655 . . . . 0.0 110.015 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.501 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -66.18 -38.2 87.45 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.353 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 2.8 mp -62.89 -32.13 73.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.049 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 82' ' ' GLN . 45.7 t -62.19 -51.35 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.73 19.18 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 112.163 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 84' ' ' TRP . 40.0 mt -74.37 -44.82 50.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.288 -175.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.86 -31.27 80.22 Favored Glycine 0 CA--C 1.512 -0.128 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.863 -173.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 t -66.7 -28.75 68.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 109.79 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -69.86 -42.11 73.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.014 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HB2' HG23 ' A' ' 51' ' ' ILE . 18.3 ttpt -56.88 -46.0 82.14 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.036 0.446 . . . . 0.0 111.574 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.41 100.71 0.87 Allowed 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.8 m 67.85 65.71 0.37 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.602 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.794 HD11 ' HA ' ' A' ' 47' ' ' ALA . 15.2 tp -96.88 158.38 15.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.264 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 p -79.47 164.57 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -173.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 67.19 179.52 0.22 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.702 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.01 112.74 9.32 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.915 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.788 ' HD2' ' HB3' ' A' ' 95' ' ' LEU . 58.3 mtp180 -107.13 166.09 10.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.321 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.249 1.043 0 O-C-N 124.283 0.989 . . . . 0.0 112.311 179.737 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.61 93.24 0.14 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.34 2.693 . . . . 0.0 112.925 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' -5' ' ' LEU . 3.8 mm? -120.15 111.63 18.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.551 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 84.3 -58.56 4.99 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.76 -0.734 . . . . 0.0 111.65 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 21.8 t -66.84 129.05 94.08 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.61 127.38 16.12 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.386 2.724 . . . . 0.0 112.895 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -72.9 84.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.879 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -126.83 128.45 46.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.752 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 16.3 tpt -139.65 138.24 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.148 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 162.67 32.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.78 0.324 . . . . 0.0 110.767 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.11 -175.49 23.91 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.498 HG12 ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -115.37 158.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 117.097 0.449 . . . . 0.0 110.163 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.8 mm? -130.12 145.3 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.872 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.69 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 1.4 t80 -62.06 124.06 19.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.386 171.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -124.8 117.38 24.01 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.882 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -75.97 125.81 29.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -109.63 -77.43 0.6 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.511 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -132.13 159.25 39.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -66.67 -21.72 66.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.0 -41.36 64.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 p -89.24 -28.97 19.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.556 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -109.19 3.36 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 3.7 p-90 -124.76 150.48 46.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 18.8 mm-40 -131.36 121.73 18.62 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 40.1 Cg_endo -67.44 106.0 1.16 Allowed 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.357 2.038 . . . . 0.0 111.527 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.762 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.4 tpm_? -106.73 151.3 25.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.498 ' CE3' HG12 ' A' ' 4' ' ' VAL . 42.8 t-105 -95.01 133.5 38.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.92 0.391 . . . . 0.0 110.366 -174.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD1' HD23 ' A' ' 5' ' ' LEU . 94.7 m-85 -132.65 149.26 52.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.007 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 28' ' ' SER . 24.3 m -133.21 135.39 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.66 HD23 HD23 ' A' ' 27' ' ' LEU . 1.8 tm? -103.99 118.55 36.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.2 131.64 15.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.667 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.1 t30 59.71 38.67 21.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.222 0.534 . . . . 0.0 111.432 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 71.71 10.97 72.68 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.776 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.39 132.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.548 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 HD23 ' A' ' 22' ' ' LEU . 2.6 tm? -104.76 110.85 23.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 21' ' ' VAL . 15.2 m -106.3 136.72 45.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.683 0.278 . . . . 0.0 110.803 -172.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -106.55 135.53 47.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.537 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 82.2 m-85 -144.63 171.8 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 18' ' ' ARG . 3.8 t70 -73.22 -37.7 66.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.722 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.521 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 15.2 p -165.61 -174.51 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.509 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 35.6 t70 -69.96 -32.96 71.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.837 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.521 ' HB3' ' H ' ' A' ' 32' ' ' SER . 35.3 t70 -67.26 -16.64 64.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.878 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' CG ' ' A' ' 30' ' ' TYR . 76.6 t -57.15 -36.01 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.273 0.559 . . . . 0.0 110.81 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.7 t -86.93 -30.5 21.29 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.916 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 19.0 mmtt -88.34 -37.93 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.72 -131.29 1.31 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 115.207 0.843 . . . . 0.0 115.207 -163.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 p -99.14 127.64 45.14 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -165.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.02 13.74 26.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.934 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.15 -47.33 90.55 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 175.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.5 p 54.43 -177.15 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.117 0.967 . . . . 0.0 113.085 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.16 120.43 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.417 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' HG12 ' A' ' 48' ' ' VAL . 29.7 ttmt -78.03 116.03 18.21 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.334 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.577 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.1 mtp -65.58 -30.89 71.68 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 120.619 0.247 . . . . 0.0 111.117 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.38 -13.16 60.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.88 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.59 2.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.656 0.741 . . . . 0.0 110.21 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.67 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.4 t -129.43 125.19 35.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.404 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.0 mm-40 -88.27 133.65 34.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.318 0.58 . . . . 0.0 110.728 -178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.667 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.43 118.92 46.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.87 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -84.2 110.32 18.44 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.667 HG23 HG13 ' A' ' 51' ' ' ILE . 54.5 t -126.58 147.75 31.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.937 -172.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 71.45 40.45 0.82 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.483 0.713 . . . . 0.0 110.405 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.62 -72.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.392 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.54 -77.19 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.728 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.701 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 6.2 m-20 -70.39 160.94 31.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.836 174.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.661 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 47.2 m-80 -95.71 179.99 4.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.289 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.79 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 14.8 p 69.45 -7.3 0.86 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.331 1.452 . . . . 0.0 112.268 -173.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.701 ' HD3' ' HB2' ' A' ' 57' ' ' ASP . 51.6 mtp180 -110.45 121.05 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -167.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.66 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.3 mpp? -140.97 153.39 45.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 174.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -125.17 138.61 54.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.456 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.51 121.26 44.72 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.87 HG21 ' HE3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -123.25 115.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.375 0.607 . . . . 0.0 111.018 -178.031 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.88 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.73 115.81 18.12 Favored Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.437 -178.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 65' ' ' ILE . 36.0 Cg_exo -57.75 117.6 4.33 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.959 2.439 . . . . 0.0 112.529 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.7 -60.27 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.608 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -108.08 -55.96 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 13.8 pt20 45.56 -163.29 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.193 0.997 . . . . 0.0 113.61 173.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 t60 68.82 51.22 0.59 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.619 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.71 111.46 17.2 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -102.79 138.97 38.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.474 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 77.4 mtp -135.97 135.8 39.86 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.69 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 54.2 tttm -136.82 125.49 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 80' ' ' GLU . . . -83.62 168.32 16.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.201 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.802 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.0 t -55.42 -57.27 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.007 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.665 ' C ' HG22 ' A' ' 59' ' ' THR . 35.8 p30 -137.34 -179.02 5.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.225 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -58.49 -41.43 85.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 -175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.77 97.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.522 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.802 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.3 mm-40 -60.9 -39.84 90.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.877 175.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.79 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.1 ttt180 -59.33 -44.99 92.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.83 174.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.2 tp60 -60.5 -35.72 76.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.176 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 45.5 mtt180 -61.77 -46.66 88.63 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.319 0.581 . . . . 0.0 110.631 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.506 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -68.79 -35.6 77.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.9 mp -62.53 -31.78 72.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 176.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.9 t -63.51 -51.48 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.572 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.0 -49.9 22.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.577 HD23 ' SD ' ' A' ' 46' ' ' MET . 34.1 mt -73.67 -40.73 63.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.849 -177.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.93 91.45 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 113.205 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.8 p -63.94 -28.45 69.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.072 0.463 . . . . 0.0 110.06 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.635 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 46.6 m -69.28 -47.24 65.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.588 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -34.9 78.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.225 0.536 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.0 99.55 3.33 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.091 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 m 70.37 45.63 0.63 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.593 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.96 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 26.4 tp -74.56 -178.86 3.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.569 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.607 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 2.2 p -66.23 -174.89 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.518 0.675 . . . . 0.0 112.524 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.93 174.7 1.79 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.894 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.1 p 56.7 52.14 10.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.54 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.96 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 38.4 mtm180 -98.83 112.79 24.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.985 174.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.253 1.261 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.177 -177.554 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.468 ' CB ' ' HG2' ' A' ' -1' ' ' GLU . 22.8 Cg_exo -64.83 156.9 59.33 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.576 2.184 . . . . 0.0 111.445 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.82 99.89 11.68 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.01 -90.53 1.29 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.309 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.826 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 29.6 t -152.16 -44.78 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 119.617 -0.23 . . . . 0.0 111.389 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.826 ' HD2' ' H ' ' A' ' -3' ' ' SER . 27.8 Cg_endo -64.43 90.06 0.17 Allowed 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.706 1.604 . . . . 0.0 111.792 172.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' -6' ' ' PRO . 13.6 mt-10 -78.81 83.63 4.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.749 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 0' ' ' PHE . . . . . 0.554 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 89.0 t80 -118.79 131.85 56.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.033 0.445 . . . . 0.0 111.036 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -141.03 142.23 34.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.845 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -137.29 156.93 47.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.675 0.274 . . . . 0.0 110.813 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.09 -173.6 31.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.678 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.497 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.44 157.3 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.279 0.539 . . . . 0.0 110.21 178.257 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -133.75 151.36 51.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.688 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m-85 -70.06 100.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.242 175.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -98.91 116.44 31.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -67.94 133.97 50.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.525 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -119.02 -63.42 1.4 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.001 0.429 . . . . 0.0 110.732 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.79 162.34 41.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -75.33 -17.59 60.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.645 0.259 . . . . 0.0 111.493 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.38 -40.97 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.15 0.5 . . . . 0.0 110.065 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 p -87.96 -29.67 20.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.473 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.42 -98.49 2.18 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 13.6 p-90 -131.27 149.93 52.36 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -131.16 123.32 19.69 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.239 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.5 115.49 3.56 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.511 2.141 . . . . 0.0 111.876 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 33.2 mmt180 -115.66 152.8 32.48 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.969 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.45 ' CE3' HG12 ' A' ' 4' ' ' VAL . 55.6 t-105 -94.11 124.48 38.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.118 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 92.8 m-85 -122.35 146.09 47.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.894 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.21 136.14 55.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.186 0.517 . . . . 0.0 110.54 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 2.9 tm? -102.19 120.03 39.79 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -135.95 107.78 7.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.611 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 53.63 46.06 26.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.471 172.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 -5.65 80.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.287 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.49 130.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 122.181 -0.599 . . . . 0.0 110.569 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.534 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -107.44 110.24 22.15 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -114.1 148.96 36.27 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.13 -175.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 45.3 p90 -118.04 149.6 40.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -132.95 173.46 11.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.91 -39.78 69.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.935 0.398 . . . . 0.0 110.727 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.469 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 69.7 m -155.29 -177.64 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.875 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.21 -43.19 95.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.089 0.471 . . . . 0.0 110.28 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -28.33 69.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.3 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.761 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 36.4 t70 -69.69 -15.87 63.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.125 -174.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -59.9 -37.27 71.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.93 -22.11 61.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.874 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.761 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 13.4 mmtm -71.07 -12.88 61.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.681 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.13 131.82 7.16 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.302 -0.952 . . . . 0.0 111.517 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 m -56.71 134.93 55.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.92 0.39 . . . . 0.0 111.747 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -103.88 -23.2 13.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.323 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.7 137.79 4.96 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.362 -176.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.5 m -134.3 155.63 49.87 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -111.33 121.98 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.759 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HB3' HG12 ' A' ' 48' ' ' VAL . 33.6 ttmt -79.79 111.66 16.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.976 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.42 -26.5 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.855 0.36 . . . . 0.0 110.983 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.604 ' HA ' HD21 ' A' ' 95' ' ' LEU . . . -69.74 -11.97 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.646 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.885 HG13 HD13 ' A' ' 65' ' ' ILE . 9.2 p -125.51 2.07 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.658 0.742 . . . . 0.0 110.061 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 42.5 t -124.14 132.81 53.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.424 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.667 ' HB2' HG23 ' A' ' 64' ' ' ILE . 26.3 mt-10 -88.95 129.6 35.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.997 0.427 . . . . 0.0 110.019 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.665 HG13 HG23 ' A' ' 53' ' ' VAL . 2.4 tp -99.13 115.0 38.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' NZ ' ' HB ' ' A' ' 100' ' ' THR . 21.7 mmmt -85.85 109.64 18.84 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -172.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.665 HG23 HG13 ' A' ' 51' ' ' ILE . 49.4 t -124.63 113.6 36.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -173.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -130.96 141.21 50.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.377 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 p -88.95 101.65 14.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.749 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.81 -73.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.83 ' HB3' ' HG3' ' A' ' 60' ' ' ARG . 8.2 t70 -87.62 177.86 6.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.962 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 18.2 m120 -69.81 -82.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -172.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.818 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 24.2 p -111.21 81.58 1.46 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.109 0.563 . . . . 0.0 111.162 -171.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 17.2 mmm180 -135.26 103.65 5.6 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -171.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.751 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -143.38 143.21 31.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 122.247 -0.283 . . . . 0.0 110.761 174.095 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -120.64 138.53 53.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.5 mm? -108.05 120.8 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.667 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -126.84 115.7 42.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.417 0.627 . . . . 0.0 111.219 -178.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.885 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.64 116.41 18.31 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.887 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.0 Cg_exo -53.32 115.26 2.18 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.042 2.495 . . . . 0.0 112.681 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.83 -58.67 0.65 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 30.3 mt-10 -100.44 -68.56 0.81 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 12.9 pt20 48.98 -168.47 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 168.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 63.32 39.57 9.34 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 94.0 m-85 -101.94 111.39 23.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.776 176.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -95.06 140.59 29.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.443 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 33.8 mtt -123.0 136.5 54.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.164 0.507 . . . . 0.0 110.698 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.688 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -133.84 121.51 21.89 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.58 174.68 11.33 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.696 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.31 -65.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.244 0.545 . . . . 0.0 109.928 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 87.9 m-20 -118.14 162.45 18.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.331 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.19 64.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.054 0.454 . . . . 0.0 109.83 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.3 96.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.466 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 38.6 mm-40 -67.05 -33.17 74.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.818 ' HD2' ' HA ' ' A' ' 59' ' ' THR . 45.5 ttt180 -62.92 -41.89 99.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.172 173.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.1 tp60 -58.24 -34.78 70.82 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -62.21 -43.86 97.87 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.466 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -67.93 -36.94 81.01 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.154 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.2 mp -63.59 -32.24 73.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.604 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.1 t -63.55 -51.06 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.672 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.23 -50.15 23.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.193 0.52 . . . . 0.0 111.95 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 84' ' ' TRP . 30.6 mt -74.59 -40.59 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.917 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.15 89.27 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.22 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -62.65 -26.77 68.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.142 0.496 . . . . 0.0 110.119 176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 27.8 t -69.37 -47.92 62.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.064 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -60.97 -41.16 95.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.906 0.384 . . . . 0.0 110.978 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.85 103.45 3.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.213 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m 63.47 72.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.471 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.826 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 12.8 tp -115.53 -161.1 0.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.096 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.709 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -66.1 178.95 1.01 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.324 0.583 . . . . 0.0 112.189 177.053 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.62 174.68 1.28 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.527 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.2 p 52.89 73.67 0.34 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.297 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.826 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 52.2 mtm180 -128.63 133.78 48.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.34 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.405 ' HB ' ' NZ ' ' A' ' 52' ' ' LYS . 2.8 m . . . . . 0 C--O 1.253 1.278 0 CA-C-O 118.398 -0.81 . . . . 0.0 110.933 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 90' ' ' SER . 42.4 Cg_exo -58.74 136.96 77.33 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.061 2.507 . . . . 0.0 111.844 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 44.8 tp -93.61 104.41 16.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.529 -175.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 84.91 -72.69 2.75 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.439 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.766 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 22.4 m -153.09 -53.08 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.766 ' HD2' ' H ' ' A' ' -3' ' ' SER . 12.1 Cg_endo -55.0 98.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.677 2.251 . . . . 0.0 113.24 -176.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.03 71.09 3.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.435 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 86.0 t80 -125.96 139.13 53.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.64 -177.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.7 tpt -139.86 143.59 36.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.986 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -135.81 153.63 51.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.207 0.317 . . . . 0.0 110.349 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.82 -164.29 27.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.753 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.468 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -124.31 161.38 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.991 0.395 . . . . 0.0 110.467 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.804 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -136.1 160.03 39.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.037 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.735 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -70.44 118.86 13.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.918 171.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -113.99 116.25 28.91 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -65.19 124.89 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -110.66 -70.16 0.83 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.818 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -142.84 162.63 34.96 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -71.23 -24.6 62.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.755 0.312 . . . . 0.0 110.961 -176.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.56 -41.25 63.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.221 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -84.48 -33.63 23.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.832 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.07 -97.29 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.735 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -122.97 135.14 54.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.828 0.347 . . . . 0.0 110.645 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -132.46 123.66 18.67 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.076 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.88 124.78 12.73 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.721 2.281 . . . . 0.0 112.217 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.43 155.76 34.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.958 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -93.68 124.46 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.36 0.413 . . . . 0.0 110.008 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.405 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 97.4 m-85 -125.69 144.02 50.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.42 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.428 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 3.1 tm? -102.0 121.22 41.75 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 175.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -137.79 107.29 6.16 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 t30 52.96 58.02 5.75 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.0 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.16 -7.71 66.36 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.892 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -114.86 131.05 68.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 117.579 0.689 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 22' ' ' LEU . 2.9 tm? -104.09 115.66 30.83 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -107.39 142.62 36.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.74 0.305 . . . . 0.0 110.821 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -118.85 137.42 53.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.484 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.588 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 95.7 m-85 -137.32 171.03 15.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.442 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.18 -39.68 60.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.978 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.453 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 69.1 m -154.0 -178.4 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.468 -175.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -64.65 -53.93 39.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.91 -25.93 68.37 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.276 0.56 . . . . 0.0 111.111 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 36.5 t70 -66.84 -21.08 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.943 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 30' ' ' TYR . 89.9 t -66.74 -39.64 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.286 0.565 . . . . 0.0 110.98 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.3 t -71.47 -23.9 61.9 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.494 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 26.5 mmtt -67.02 -47.27 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.363 0.601 . . . . 0.0 111.249 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.68 143.94 3.85 Favored Glycine 0 N--CA 1.434 -1.496 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -170.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.588 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 1.5 t -71.12 161.6 30.84 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.651 0.739 . . . . 0.0 111.3 -177.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 4.1 mptt -111.41 -8.71 14.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.621 175.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.9 165.15 12.27 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.611 -172.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -141.67 161.1 38.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 117.435 0.618 . . . . 0.0 110.275 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.94 120.13 60.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.454 0.645 . . . . 0.0 109.349 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -83.04 110.87 18.35 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.303 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.608 ' O ' HD21 ' A' ' 95' ' ' LEU . 95.4 mmm -63.31 -27.5 69.37 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.675 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -68.43 -15.17 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.811 HG13 HD13 ' A' ' 65' ' ' ILE . 6.4 p -125.33 1.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.759 0.79 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.809 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.8 t -135.84 118.88 16.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.803 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.509 ' HB3' ' HE3' ' A' ' 52' ' ' LYS . 7.7 mt-10 -87.06 143.1 27.47 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.554 0.692 . . . . 0.0 111.14 -177.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.744 HD11 ' HB3' ' A' ' 61' ' ' MET . 2.2 tp -97.53 115.07 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 167.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' HE3' ' HB3' ' A' ' 50' ' ' GLU . 7.9 mmpt? -84.22 108.21 16.97 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -172.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 51' ' ' ILE . 56.0 t -120.87 112.82 37.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.998 -173.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -144.65 104.7 4.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.414 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -66.1 117.82 8.96 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.164 0.507 . . . . 0.0 111.043 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.61 -62.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.775 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . 4.0 m-20 -93.1 178.7 5.66 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -106.91 147.83 29.33 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.26 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.629 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 45.6 p 51.3 45.26 28.18 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.872 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HD2' ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -128.8 98.31 4.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.026 0.441 . . . . 0.0 111.896 -174.049 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.8 mpp? -134.62 156.12 49.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -131.12 137.51 49.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.7 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.21 121.16 44.62 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 1.2 tp -126.25 116.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.513 0.673 . . . . 0.0 111.381 -177.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.811 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -128.52 115.9 19.68 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.74 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 65' ' ' ILE . 45.0 Cg_exo -56.7 111.86 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.914 2.409 . . . . 0.0 112.322 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 -62.66 0.62 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.721 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' C ' ' HG3' ' A' ' 69' ' ' GLN . 23.1 mt-10 -101.94 -59.81 1.64 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.451 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.453 ' HG3' ' C ' ' A' ' 68' ' ' GLU . 4.5 pp0? 45.21 -161.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 175.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.2 t60 66.41 38.96 4.13 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.737 0.78 . . . . 0.0 109.499 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.7 112.29 23.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.288 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -103.54 146.57 28.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.804 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -120.41 136.57 54.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.527 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.712 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 23.0 ttmm -152.29 123.02 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.93 -174.47 4.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.215 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.83 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 52.8 t -65.52 -61.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.63 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -136.37 174.73 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.384 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.83 -45.04 29.44 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.21 99.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.082 0.468 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.83 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 36.2 mm-40 -63.23 -38.63 91.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.542 0.687 . . . . 0.0 109.941 175.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.629 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.1 tmm_? -59.95 -40.14 87.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.086 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 tp60 -66.97 -33.8 76.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 0.0 111.02 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.468 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.3 m95 -69.37 -35.13 75.52 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.411 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.1 mp -60.63 -32.85 71.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.25 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.1 t -63.38 -51.89 65.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.14 176.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.72 -50.28 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 112.031 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.4 mt -72.93 -33.7 66.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.512 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.56 -31.43 74.73 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.898 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.555 ' HB2' ' HD3' ' A' ' -6' ' ' PRO . 36.4 t -57.05 -36.43 70.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 110.008 174.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 28.3 m -70.55 -49.89 43.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.489 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -37.51 87.76 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.773 0.321 . . . . 0.0 111.667 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.44 106.49 4.56 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.357 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.0 m 63.09 49.75 3.3 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.622 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.012 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 22.3 tp -79.34 -176.84 5.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.632 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -71.49 -169.92 0.47 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.563 0.696 . . . . 0.0 112.594 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.43 178.34 0.22 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.724 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.1 p 54.2 63.72 2.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.371 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 1.012 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 64.9 mtm180 -121.69 167.15 13.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.477 176.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.692 176.758 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -7' ' ' GLY . . . . . 0.419 ' HA2' ' HD3' ' A' ' -6' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.789 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 83.4 Cg_endo -89.74 85.59 0.45 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.825 2.35 . . . . 0.0 112.643 -175.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.79 91.03 5.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.313 0.578 . . . . 0.0 109.941 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 90.09 -60.94 3.38 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 45.0 m -82.46 122.28 78.78 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.37 142.21 77.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 111.869 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.789 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 4.2 mm-40 -72.59 130.33 40.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.445 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -103.06 127.68 50.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt -138.7 137.16 36.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.16 145.96 42.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.23 -169.17 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -117.75 157.97 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.303 0.551 . . . . 0.0 110.27 179.036 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.47 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.6 mm? -132.06 151.02 52.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.308 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.723 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 4.2 t80 -61.43 115.93 4.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 172.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -117.65 124.0 47.51 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.17 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -73.28 142.11 47.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.95 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 p -125.0 -78.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -136.85 156.88 47.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -67.7 -23.49 65.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.45 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.2 -40.01 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 0.0 110.99 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -88.59 -29.19 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.794 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -111.47 3.71 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CZ3' ' HA ' ' A' ' 6' ' ' TYR . 6.8 p-90 -127.75 149.27 50.31 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -131.74 125.01 20.19 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.878 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.81 116.82 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.367 2.044 . . . . 0.0 111.134 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.651 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.6 mmp_? -107.56 151.63 25.35 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -93.25 117.52 30.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 89.0 m-85 -114.76 144.19 43.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.004 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -133.38 135.33 56.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.15 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -103.47 119.66 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.52 112.29 5.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.422 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.41 44.94 23.61 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.664 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.76 -1.53 88.62 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.95 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.53 129.05 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -106.31 110.51 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 19.5 m -107.73 148.24 29.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.004 -173.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.495 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 23.2 p90 -122.23 133.78 54.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.703 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 40' ' ' SER . 58.3 m-85 -134.65 165.38 25.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.135 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.7 -36.73 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -158.03 -177.27 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -71.76 -39.41 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.122 0.487 . . . . 0.0 110.042 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.96 -25.19 63.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.23 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -89.31 -14.0 36.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.417 -173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.492 HG22 ' CD1' ' A' ' 30' ' ' TYR . 59.7 t -64.39 -46.73 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.004 0.43 . . . . 0.0 111.408 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.03 -20.16 65.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.208 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -67.68 -29.17 68.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.053 0.454 . . . . 0.0 111.319 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.3 117.76 4.32 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.298 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.515 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 4.4 p -81.86 137.43 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.234 0.54 . . . . 0.0 111.632 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -95.6 -19.72 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.739 175.308 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.97 126.63 6.67 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m -149.03 165.45 31.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.956 0.378 . . . . 0.0 110.603 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.13 121.25 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.231 0.539 . . . . 0.0 110.296 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.636 ' HG2' HG12 ' A' ' 48' ' ' VAL . 18.4 ttmt -86.18 111.59 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.434 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.654 ' O ' HD21 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -58.41 -35.18 71.66 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.547 -178.156 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.779 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -68.66 -9.57 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.692 HG13 HD13 ' A' ' 65' ' ' ILE . 9.5 p -125.26 -3.87 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.24 0.543 . . . . 0.0 110.647 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.886 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 47.6 m -117.45 134.66 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.902 0.382 . . . . 0.0 110.454 -176.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.505 ' CB ' HG23 ' A' ' 64' ' ' ILE . 2.4 mm-40 -88.72 124.19 33.87 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.669 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.9 114.34 36.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.0 mmmt -84.47 108.78 17.45 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.589 -169.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.669 HG23 HG13 ' A' ' 51' ' ' ILE . 55.5 t -128.3 116.06 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.259 -173.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -95.74 -9.41 31.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.559 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.5 m 73.85 -12.86 0.81 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.96 -26.51 9.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.903 0.382 . . . . 0.0 111.607 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.99 146.42 49.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.719 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -76.56 117.91 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.738 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.877 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p 53.13 -136.59 1.35 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.236 0.614 . . . . 0.0 110.503 -174.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 48.72 95.53 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.535 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.2 mpp? -133.78 140.72 47.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.779 173.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -113.59 139.32 49.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.108 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 51' ' ' ILE . 4.0 mm? -109.03 121.5 45.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 109.739 175.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.505 HG23 ' CB ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -122.86 116.58 49.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.886 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.8 119.31 24.18 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.989 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.694 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.1 Cg_exo -54.41 122.82 12.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.999 2.466 . . . . 0.0 112.658 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.65 -50.35 0.78 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.177 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -107.67 -65.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.404 -0.118 . . . . 0.0 110.837 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.574 ' H ' HG23 ' A' ' 65' ' ' ILE . 28.1 pt20 47.18 -163.26 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.249 1.02 . . . . 0.0 113.389 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 68.58 52.92 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.734 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -125.96 112.86 16.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -103.78 135.45 45.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.712 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.465 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.8 mtp -130.61 137.27 49.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.092 0.472 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 58.0 tttm -138.36 121.88 17.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.95 169.31 18.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.072 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.72 -54.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 123.553 0.533 . . . . 0.0 111.001 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.45 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -143.04 168.44 19.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.142 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.631 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -50.98 -40.9 58.98 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.446 ' HB3' ' ND2' ' A' ' 77' ' ' ASN . . . -62.67 -44.48 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.958 0.409 . . . . 0.0 111.872 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 53.5 mm-40 -63.33 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.453 0.644 . . . . 0.0 110.908 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.877 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -56.74 -38.14 71.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.036 172.787 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 86' ' ' VAL . 27.2 tp60 -67.76 -34.36 76.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.503 -176.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -64.47 -45.24 88.27 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 110.39 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.53 ' HB3' HD12 ' A' ' 88' ' ' LEU . 90.6 m95 -66.63 -36.26 82.15 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.155 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' A' ' 81' ' ' ARG . 3.1 mp -62.68 -32.23 73.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.748 177.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -64.19 -51.31 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.707 176.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -49.65 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' A' ' 46' ' ' MET . 30.0 mt -74.34 -44.64 51.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.292 0.568 . . . . 0.0 111.954 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.94 -29.99 73.92 Favored Glycine 0 N--CA 1.453 -0.18 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.153 -173.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -64.33 -26.92 68.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.908 0.385 . . . . 0.0 110.409 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 23.2 t -70.16 -49.41 50.8 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.753 174.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.6 -36.74 67.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 111.904 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.18 103.33 0.61 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.883 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 p 52.17 61.12 3.37 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.525 -175.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 47' ' ' ALA . 18.7 tp -86.64 163.18 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.016 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.7 p -82.27 170.74 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 t70 66.84 -174.94 0.19 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.072 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 27.5 p -74.82 74.1 2.1 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.432 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -54.87 111.73 0.89 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.288 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.694 -176.141 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -7' ' ' GLY . . . . . 0.588 ' HA3' ' HB3' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.483 ' HD2' ' OG ' ' A' ' 90' ' ' SER . 45.5 Cg_exo -56.65 119.96 7.53 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.966 2.444 . . . . 0.0 112.694 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -131.14 79.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.67 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 96.0 -41.86 2.36 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -174.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.6 p -55.45 149.45 28.57 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 114.534 -0.833 . . . . 0.0 111.216 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.12 104.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.105 2.537 . . . . 0.0 112.566 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.479 ' HG3' ' HG2' ' A' ' -6' ' ' PRO . 39.3 tt0 -81.75 70.48 8.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.859 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 0' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 72.9 t80 -126.42 129.49 48.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.786 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt -140.23 136.75 33.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 159.38 39.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.98 -170.82 30.73 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.467 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -117.87 153.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 117.148 0.474 . . . . 0.0 110.365 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.62 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -130.44 150.21 51.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.713 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -70.66 103.13 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.163 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -98.25 116.67 30.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.807 0.337 . . . . 0.0 110.248 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -70.45 131.93 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.625 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -115.75 -65.27 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.068 0.461 . . . . 0.0 111.401 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -148.82 168.46 22.92 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -76.5 -27.04 55.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.578 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.66 -39.32 64.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.11 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 p -87.91 -26.93 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.756 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.26 -119.34 4.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 19.8 p-90 -120.98 157.51 29.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -129.79 123.19 20.94 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.699 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.42 94.94 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 111.673 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -102.44 155.95 17.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.195 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.413 ' CE3' HG12 ' A' ' 4' ' ' VAL . 49.4 t-105 -94.47 124.34 38.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.567 -171.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 88.2 m-85 -121.84 147.52 45.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.594 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG22 ' HE1' ' A' ' 30' ' ' TYR . 35.3 m -136.36 136.89 48.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.741 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -101.98 120.26 40.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 173.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -145.23 108.41 4.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.15 61.08 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.49 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.85 -8.02 12.84 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.888 -0.596 . . . . 0.0 114.2 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.95 132.5 60.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 117.769 0.785 . . . . 0.0 111.053 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.627 HD23 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -103.95 110.1 22.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -108.38 146.9 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.898 0.38 . . . . 0.0 111.249 -174.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -117.09 138.57 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 84.3 m-85 -128.02 167.88 16.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.26 -37.83 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.232 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 p -151.98 -179.18 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.995 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -68.62 -37.8 80.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.481 ' OD2' ' HE2' ' A' ' 38' ' ' LYS . 18.6 t70 -64.02 -34.85 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.507 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 32.1 t70 -65.35 -21.34 66.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.662 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.564 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 88.5 t -64.24 -38.76 83.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.7 t -73.86 -24.25 59.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.576 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 44.8 mmtt -70.92 -52.56 19.29 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.363 0.601 . . . . 0.0 110.49 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.41 125.02 3.31 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.927 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 p -78.91 144.49 34.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.18 0.514 . . . . 0.0 111.304 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 6.7 mptt -93.66 -9.6 37.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.426 0.632 . . . . 0.0 109.359 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.14 128.84 5.39 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.637 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.1 m -139.83 165.03 28.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.4 mt -110.9 120.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.442 0.639 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 17.9 ttmt -81.07 112.73 18.71 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.322 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.415 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -62.25 -33.57 74.87 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.001 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.41 60.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.954 HG13 HD13 ' A' ' 65' ' ' ILE . 9.5 p -124.69 -7.76 6.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.409 0.623 . . . . 0.0 110.383 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.757 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.8 t -117.23 122.45 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.999 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' A' ' 64' ' ' ILE . 38.8 mt-10 -88.04 135.03 33.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.169 0.509 . . . . 0.0 110.352 -175.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.702 HG13 HG23 ' A' ' 53' ' ' VAL . 2.0 tp -99.04 118.35 45.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.968 ' HE3' HG21 ' A' ' 64' ' ' ILE . 19.3 mmtp -84.06 108.55 17.06 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.13 0.49 . . . . 0.0 109.832 -172.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.702 HG23 HG13 ' A' ' 51' ' ' ILE . 77.2 t -133.7 113.78 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.533 -176.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -110.36 149.72 29.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 171.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -74.32 59.92 0.81 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -170.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.08 114.58 13.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 170.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.52 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 29.2 t70 -87.76 106.26 17.94 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -166.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -173.95 157.21 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 174.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.816 ' HA ' ' HG3' ' A' ' 81' ' ' ARG . 36.4 p -64.31 82.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -167.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -160.77 106.67 1.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.09 0.471 . . . . 0.0 111.904 175.523 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.754 ' SD ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mpp? -139.06 156.36 47.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.844 173.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -127.7 134.3 49.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.466 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.97 121.05 43.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.968 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -125.18 116.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-O 121.342 0.591 . . . . 0.0 111.473 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.954 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.52 117.41 18.65 Favored Pre-proline 0 N--CA 1.449 -0.503 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.024 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD2' HD12 ' A' ' 65' ' ' ILE . 58.8 Cg_exo -53.49 119.67 6.57 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.113 2.542 . . . . 0.0 113.079 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.1 -46.48 1.21 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.118 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.91 -78.53 0.4 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.931 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.9 pt20 43.06 -156.85 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.669 1.188 . . . . 0.0 112.91 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.0 t60 71.92 27.74 2.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 109.887 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -112.35 111.72 22.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.233 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -109.21 135.14 50.81 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.62 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.2 mtp -127.23 136.43 52.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.18 0.514 . . . . 0.0 110.334 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.713 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 80.7 tttt -138.51 123.62 19.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -79.9 177.77 8.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.231 -178.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.77 -59.11 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 110.597 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 10.7 p30 -136.97 169.93 16.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.652 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.86 49.43 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.332 0.395 . . . . 0.0 111.647 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -59.99 -45.4 92.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.965 0.412 . . . . 0.0 111.584 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.46 -39.17 89.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.696 0.76 . . . . 0.0 110.522 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.816 ' HG3' ' HA ' ' A' ' 59' ' ' THR . 2.2 tmt_? -63.92 -40.25 96.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.043 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.474 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.3 tp60 -61.35 -34.68 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.51 -44.16 91.78 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.999 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.449 ' HH2' ' O ' ' A' ' 20' ' ' PHE . 94.4 m95 -64.9 -35.72 82.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.166 0.508 . . . . 0.0 110.07 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.485 HD13 ' HD3' ' A' ' 81' ' ' ARG . 3.0 mp -62.83 -32.67 73.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.732 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -63.06 -51.01 77.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.635 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.33 -49.78 25.57 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.1 mt -73.52 -40.02 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.46 . . . . 0.0 112.006 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -35.61 92.3 Favored Glycine 0 C--O 1.234 0.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 113.499 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.588 ' HB3' ' HA3' ' A' ' -7' ' ' GLY . 22.6 p -64.94 -33.08 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.4 . . . . 0.0 110.643 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 11.9 t -68.92 -43.09 75.89 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.968 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HB2' HG23 ' A' ' 51' ' ' ILE . 1.1 ttpm? -55.89 -39.09 71.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.299 0.639 . . . . 0.0 112.387 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.25 117.4 5.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.811 -172.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.1 p 53.77 37.16 25.67 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.278 1.031 . . . . 0.0 112.664 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.482 ' O ' ' HD3' ' A' ' 99' ' ' ARG . 34.1 tp -103.41 155.94 18.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.059 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.441 HG23 ' HG ' ' A' ' 95' ' ' LEU . 24.9 p 56.64 172.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 174.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -125.22 156.38 38.58 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.402 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.3 p 46.55 66.28 1.01 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.508 0.671 . . . . 0.0 111.152 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.533 ' HG2' ' OE2' ' A' ' 50' ' ' GLU . 29.0 mtm180 -84.01 131.4 34.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.534 -174.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.504 -0.76 . . . . 0.0 111.306 -174.383 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.619 -0.593 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.627 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 8.1 Cg_exo -72.04 156.03 56.46 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.721 2.281 . . . . 0.0 111.553 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 4.8 tt -88.11 91.82 8.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.85 -71.25 2.91 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.006 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.804 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 33.8 t -148.99 -52.05 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.223 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.804 ' HD2' ' H ' ' A' ' -3' ' ' SER . 19.4 Cg_endo -59.71 112.18 1.19 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 C-N-CA 121.957 1.771 . . . . 0.0 112.957 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 0.0 OUTLIER -131.93 128.64 38.94 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 175.743 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -126.29 119.76 28.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -131.97 138.74 48.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.879 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -144.48 150.13 37.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.26 -172.29 34.69 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.528 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.0 155.56 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.432 0.616 . . . . 0.0 110.458 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.675 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.5 160.14 39.39 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.884 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -73.61 117.15 15.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.284 0.564 . . . . 0.0 110.258 172.524 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -112.52 115.97 29.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.287 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.8 128.16 35.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.094 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 p -113.96 -62.98 1.52 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -158.28 159.12 35.63 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -75.18 -16.05 60.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.155 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.64 -41.46 62.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.42 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -83.75 -40.24 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.327 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.29 -108.48 3.62 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.884 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.9 p-90 -127.65 150.93 49.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 77.2 mm-40 -131.09 122.46 19.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.539 176.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 56.1 Cg_endo -70.99 115.56 4.32 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.456 2.104 . . . . 0.0 111.398 171.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 29.7 mmt180 -118.38 159.05 24.11 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.448 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -93.99 117.68 30.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 82.3 m-85 -115.92 144.0 44.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.953 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.36 137.07 53.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.288 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.623 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -102.21 120.72 40.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.44 110.09 6.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.214 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.2 t30 50.45 53.24 13.27 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.314 171.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.59 -3.63 81.79 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.176 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -112.1 131.35 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.016 0.436 . . . . 0.0 110.414 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.623 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.67 110.5 22.7 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 p -116.74 135.44 53.76 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.136 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.483 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 49.9 p90 -104.43 148.51 26.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.411 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.728 ' HE1' ' H ' ' A' ' 40' ' ' SER . 95.5 m-85 -136.74 170.03 16.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.08 -40.14 68.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.011 0.434 . . . . 0.0 110.257 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.427 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 45.2 m -161.98 -176.09 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.809 -178.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -64.05 -39.7 94.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 110.17 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.97 -32.84 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.377 0.608 . . . . 0.0 111.554 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 38.5 t70 -78.22 -16.57 57.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.287 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.527 HG22 ' CD2' ' A' ' 30' ' ' TYR . 99.5 t -67.83 -39.88 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.183 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.1 t -68.26 -22.2 64.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.39 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 29.4 mmtm -71.42 -57.24 4.62 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.323 0.582 . . . . 0.0 109.755 175.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.51 110.22 3.22 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.728 ' H ' ' HE1' ' A' ' 30' ' ' TYR . 72.5 m -78.62 135.36 37.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -87.89 12.72 12.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.509 0.671 . . . . 0.0 109.813 176.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.58 84.64 0.34 Allowed Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.403 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p -106.72 164.77 11.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.739 0.304 . . . . 0.0 110.784 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.92 120.66 62.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.957 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -81.14 112.81 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.952 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.603 ' O ' HD21 ' A' ' 95' ' ' LEU . 92.5 mmm -64.21 -27.12 68.84 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.446 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.947 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.25 -16.13 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.032 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.889 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.55 0.59 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.618 0.723 . . . . 0.0 110.271 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.591 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.9 t -122.23 133.11 54.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.068 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.481 ' OE1' ' HG3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -88.37 146.98 24.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.723 0.773 . . . . 0.0 110.229 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.685 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -119.09 114.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.289 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.887 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 10.3 mmpt? -85.18 108.68 17.83 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.913 -170.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.685 HG23 HG13 ' A' ' 51' ' ' ILE . 38.5 t -134.02 147.89 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.415 -171.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 53' ' ' VAL . 69.9 t60 77.45 -44.44 0.44 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.712 0.805 . . . . 0.0 112.071 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.2 m -72.31 -29.8 64.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.818 0.342 . . . . 0.0 111.593 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.97 168.28 12.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.501 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -75.72 173.87 10.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.831 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.649 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 78.9 m-20 -65.05 146.24 55.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.799 ' H ' ' HD2' ' A' ' 81' ' ' ARG . 17.2 p 66.52 -3.37 0.87 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.351 1.46 . . . . 0.0 112.181 -173.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 58' ' ' ASN . 8.8 mmm180 -107.58 118.57 37.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.978 0.418 . . . . 0.0 111.301 -170.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.592 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.9 mpp? -138.36 156.53 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.93 138.04 50.67 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.407 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.26 120.63 42.35 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -123.06 114.54 42.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.491 0.662 . . . . 0.0 110.853 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.889 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -124.96 115.89 26.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.623 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.65 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.9 Cg_exo -53.32 119.48 6.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.269 2.646 . . . . 0.0 112.872 -174.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.28 -53.03 0.62 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.936 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.12 -71.23 0.69 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.562 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.7 pt20 45.41 -161.46 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.512 1.125 . . . . 0.0 113.704 174.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 68.56 38.6 2.29 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.091 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -111.45 111.9 23.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.487 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -102.86 143.02 33.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.675 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -121.07 136.53 54.96 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.077 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.65 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 47.5 tttp -147.18 122.23 10.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.17 0.51 . . . . 0.0 110.438 172.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 173.83 8.91 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.929 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.711 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 75.5 t -55.76 -57.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.46 0.475 . . . . 0.0 111.033 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.613 ' C ' HG22 ' A' ' 59' ' ' THR . 31.8 p30 -139.81 179.31 6.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.153 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -57.44 -39.17 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 110.992 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.43 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.422 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.711 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 28.8 mm-40 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.302 0.573 . . . . 0.0 110.58 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.799 ' HD2' ' H ' ' A' ' 59' ' ' THR . 23.8 ttt180 -57.63 -45.19 85.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.906 174.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.553 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.7 tp60 -61.84 -33.12 73.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.795 -176.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.11 -45.09 93.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.532 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -69.05 -34.96 76.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.084 0.469 . . . . 0.0 110.46 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.563 ' HG ' HG13 ' A' ' 53' ' ' VAL . 5.7 mp -60.86 -32.37 71.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.153 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.8 t -65.58 -52.08 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.106 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.86 -50.31 24.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.268 0.556 . . . . 0.0 111.825 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.544 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.8 mt -74.42 -41.97 59.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.655 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.95 -32.04 76.5 Favored Glycine 0 N--CA 1.454 -0.161 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.048 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.0 p -67.84 -26.18 65.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -69.61 -34.16 73.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.09 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.481 ' HG3' ' OE1' ' A' ' 50' ' ' GLU . 12.1 ttpp -64.21 -22.3 66.89 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.549 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.89 96.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.494 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.2 m 61.25 42.59 11.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.063 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.947 HD11 ' HA ' ' A' ' 47' ' ' ALA . 50.4 tp -64.55 157.11 27.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.964 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.99 147.93 41.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.196 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 t0 66.16 176.78 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.058 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.4 p -78.46 121.4 24.5 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.762 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.36 172.65 13.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.553 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.438 ' H ' ' HG3' ' A' ' 50' ' ' GLU . 33.6 m . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.561 -0.733 . . . . 0.0 109.493 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -7' ' ' GLY . . . . . 0.484 ' HA2' ' OG ' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.809 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 23.2 Cg_exo -66.78 152.15 81.08 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 123.153 2.569 . . . . 0.0 111.975 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -74.92 93.05 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.203 0.525 . . . . 0.0 110.177 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 90.62 -64.83 2.79 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.215 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.58 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 34.7 t -163.98 -58.79 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' -3' ' ' SER . 9.4 Cg_endo -88.26 99.74 0.41 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.245 1.963 . . . . 0.0 113.522 -171.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.809 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 4.3 mm-40 -78.74 137.79 37.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.005 169.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -121.52 121.32 37.22 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt -141.9 137.53 31.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 155.63 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.9 -171.3 34.93 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.665 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.51 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -113.21 157.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.06 179.197 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.585 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -134.87 155.18 51.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.752 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -71.74 126.76 30.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.351 173.573 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.06 124.24 42.67 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.992 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -74.68 99.58 3.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -69.84 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -162.08 171.37 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.553 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -57.04 -35.61 69.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.89 -41.4 87.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.702 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -87.35 -28.48 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 111.561 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.29 -91.21 1.64 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.18 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 3.5 p-90 -140.1 140.59 36.1 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -131.29 123.82 19.89 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.0 129.31 21.6 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.646 2.23 . . . . 0.0 111.945 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 31' ' ' ASP . 25.1 mmt180 -120.66 155.34 34.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.705 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.413 ' HE3' HG12 ' A' ' 4' ' ' VAL . 62.3 t-105 -94.34 121.54 35.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD2' HD23 ' A' ' 5' ' ' LEU . 98.5 m-85 -122.91 147.79 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.102 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.44 136.22 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.256 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -103.19 119.34 38.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -144.6 121.11 11.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.953 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 60.75 29.76 19.23 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.898 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.13 7.12 83.83 Favored Glycine 0 C--N 1.322 -0.237 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.568 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -115.05 134.37 58.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -104.42 110.68 23.04 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -108.04 140.32 41.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -103.61 146.04 29.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.783 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.793 ' HE1' ' H ' ' A' ' 40' ' ' SER . 70.1 m-85 -138.08 155.42 48.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.064 0.459 . . . . 0.0 110.504 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 2.2 m-20 -73.17 -27.72 61.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.056 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 16.7 t -168.56 -176.96 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.124 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -38.16 88.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.202 0.525 . . . . 0.0 109.871 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.51 -20.94 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.082 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.0 t70 -82.69 -15.03 53.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.175 0.512 . . . . 0.0 110.561 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -63.62 -44.48 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.885 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.1 t -65.75 -27.71 68.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -63.06 -36.54 83.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.751 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.9 91.18 0.18 Allowed Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.228 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.793 ' H ' ' HE1' ' A' ' 30' ' ' TYR . 58.4 m -56.32 133.63 52.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.059 0.457 . . . . 0.0 111.155 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 7.6 mptt -77.75 -12.63 59.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.842 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.91 125.85 7.23 Favored Glycine 0 N--CA 1.441 -1.009 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.248 174.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.4 m -138.81 173.3 11.72 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt -110.45 119.63 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.384 0.611 . . . . 0.0 109.937 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -83.48 113.8 21.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.644 ' O ' HD21 ' A' ' 95' ' ' LEU . 94.9 mmm -64.74 -27.7 69.08 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.71 -10.41 59.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.915 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.67 -6.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.26 0.553 . . . . 0.0 110.235 176.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.721 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.7 t -121.83 125.28 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.869 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.614 ' HB2' HG23 ' A' ' 64' ' ' ILE . 26.7 mt-10 -87.25 133.66 33.64 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.272 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.488 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -97.97 113.32 32.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 164.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HD2' HG21 ' A' ' 64' ' ' ILE . 3.2 mtpt -99.91 108.72 21.03 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.79 0.805 . . . . 0.0 109.667 -170.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.488 HG23 HG13 ' A' ' 51' ' ' ILE . 41.0 t -117.34 126.73 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.097 -174.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -138.83 135.91 35.07 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.574 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 p -57.25 106.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.466 0.479 . . . . 0.0 110.049 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.28 -74.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.71 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.92 ' HB3' ' HD3' ' A' ' 60' ' ' ARG . 3.1 t70 -150.57 -166.24 2.49 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.961 0.41 . . . . 0.0 111.201 -171.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.577 ' OD1' HG23 ' A' ' 59' ' ' THR . 35.0 t-20 -70.1 133.57 47.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.575 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.852 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 39.4 p 55.01 -110.31 0.55 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.039 0.935 . . . . 0.0 112.881 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.92 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 10.2 ptm180 32.76 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.473 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 1.2 mpp? -133.93 157.09 46.9 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.47 138.72 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.061 -0.399 . . . . 0.0 111.831 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.15 121.45 43.8 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.614 HG23 ' HB2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -127.89 117.0 44.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.433 0.635 . . . . 0.0 111.304 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.915 HD13 HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -125.43 118.25 24.87 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.605 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.1 Cg_exo -58.43 111.85 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.92 2.413 . . . . 0.0 112.077 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.98 -62.68 0.62 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.331 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -104.23 -60.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.689 -0.115 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' H ' HG23 ' A' ' 65' ' ' ILE . 11.1 pt20 48.16 -160.85 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.346 1.058 . . . . 0.0 113.561 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.5 t60 65.84 48.97 1.75 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.091 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.04 111.27 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -101.01 139.14 37.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.585 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -120.98 137.81 54.46 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -175.648 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.752 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 18.1 ttpp -150.38 120.27 7.12 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.08 -179.15 4.78 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.758 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.799 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.3 t -62.22 -57.74 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.093 0.473 . . . . 0.0 110.086 177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.459 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 11.0 p30 -142.65 175.03 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.603 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.27 -44.65 16.66 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -44.63 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.799 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.8 mm-40 -61.2 -38.63 87.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.254 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.852 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 22.0 ttp180 -57.23 -45.87 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.982 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 56.3 tp60 -62.41 -34.52 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HD3' ' OE1' ' A' ' 80' ' ' GLU . 68.1 mtp180 -66.08 -44.51 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.739 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.527 ' CZ2' HD21 ' A' ' 5' ' ' LEU . 94.9 m95 -66.67 -35.81 81.05 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 109.957 175.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.489 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.724 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.6 t -64.2 -51.6 66.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.792 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.19 20.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.452 . . . . 0.0 111.627 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.0 mt -74.89 -44.86 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.791 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.43 -36.75 93.57 Favored Glycine 0 CA--C 1.513 -0.055 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.131 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.484 ' OG ' ' HA2' ' A' ' -7' ' ' GLY . 47.5 m -61.98 -28.68 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.19 0.519 . . . . 0.0 110.172 176.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 20.3 t -71.3 -36.02 71.5 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.713 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -70.78 -43.09 69.45 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 0.0 110.525 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.39 103.18 1.57 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.021 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.4 m 66.3 63.85 0.53 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.196 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.67 ' HG ' ' H ' ' A' ' 96' ' ' THR . 14.3 tp -93.32 -169.83 2.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.838 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.67 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -70.78 -179.05 2.05 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.3 0.571 . . . . 0.0 112.345 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -71.32 174.61 6.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.162 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.9 p 56.29 61.23 2.79 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.207 1.003 . . . . 0.0 112.592 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -98.79 112.03 24.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.684 174.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 C--O 1.249 1.078 0 O-C-N 123.605 0.565 . . . . 0.0 110.993 -175.751 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.687 ' HB3' ' H ' ' A' ' -1' ' ' GLU . 10.2 Cg_endo -87.41 100.91 0.5 Allowed 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.464 2.109 . . . . 0.0 111.994 -176.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 65.3 tp -107.94 111.07 22.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.998 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.74 -63.75 4.19 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 33.8 t -90.9 120.05 68.79 Favored Pre-proline 0 N--CA 1.446 -0.66 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 175.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 22.9 Cg_exo -65.06 135.59 44.5 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.726 2.284 . . . . 0.0 111.62 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.687 ' H ' ' HB3' ' A' ' -6' ' ' PRO . 47.8 mt-10 -73.15 148.22 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.371 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -103.51 122.95 45.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt -127.29 135.57 50.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.357 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.905 0.383 . . . . 0.0 111.339 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.44 -167.22 28.58 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.498 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.1 m -117.73 159.89 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.245 0.523 . . . . 0.0 110.6 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.754 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.8 159.79 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.717 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -68.53 127.7 33.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.292 172.666 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -121.18 117.7 27.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.058 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -73.38 131.75 42.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.652 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 p -117.95 -73.24 0.65 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -139.8 155.24 47.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -71.48 -17.25 62.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.974 0.416 . . . . 0.0 110.071 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.01 -41.42 64.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.678 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -84.91 -36.33 21.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.204 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.28 -102.84 2.62 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 7.1 p-90 -137.91 147.66 44.6 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 17.1 mm-40 -127.93 122.1 22.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 31.9 Cg_endo -64.26 123.75 12.32 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.062 1.841 . . . . 0.0 111.577 172.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.21 156.52 34.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.255 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -94.27 122.5 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.095 0.474 . . . . 0.0 110.262 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 89.9 m-85 -122.99 145.26 48.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.378 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -135.94 136.28 49.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.81 118.82 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -147.34 121.79 9.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.199 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 56.89 42.02 27.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.609 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.95 5.14 84.31 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.837 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 38.6 mm -116.45 132.34 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -104.48 109.0 20.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 p -108.82 148.79 30.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.05 0.452 . . . . 0.0 111.391 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -121.07 135.09 55.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.096 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 40' ' ' SER . 97.1 m-85 -132.33 170.68 14.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -71.55 -39.86 70.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.486 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 68.9 m -156.75 -178.21 7.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.208 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.6 -49.61 76.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.114 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 -30.78 71.12 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.104 0.478 . . . . 0.0 111.302 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.571 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 38.8 t70 -69.06 -24.01 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.508 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 30' ' ' TYR . 94.4 t -66.03 -42.34 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.212 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.0 m -67.04 -19.7 65.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.52 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 34.1 mmtt -65.74 -38.77 90.05 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.457 0.646 . . . . 0.0 110.546 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.11 48.72 3.49 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.801 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 33.0 m -71.02 140.98 50.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.106 0.479 . . . . 0.0 110.858 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 9.9 mptt -78.48 -0.15 28.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.826 -175.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.15 90.25 0.43 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.158 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.442 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 9.7 p -137.7 157.18 47.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.047 0.451 . . . . 0.0 111.279 -176.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.9 mt -112.56 124.28 69.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.164 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -79.5 114.65 18.59 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.081 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.661 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.7 mtp -62.82 -31.77 72.83 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.289 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.534 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -71.01 -9.62 58.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.882 HG13 HD13 ' A' ' 65' ' ' ILE . 9.1 p -124.62 2.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.781 0.8 . . . . 0.0 109.899 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.681 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 31.3 t -129.21 128.19 42.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.324 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.576 ' HB2' HG23 ' A' ' 64' ' ' ILE . 49.5 mt-10 -86.81 138.96 31.16 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.054 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.514 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.72 116.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 166.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HE2' HG21 ' A' ' 64' ' ' ILE . 29.5 mmtt -83.01 106.64 14.99 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.98 -169.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 92' ' ' LYS . 72.1 t -138.57 107.06 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.927 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -124.66 -89.46 0.58 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.544 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m -108.89 41.94 1.51 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.471 0.653 . . . . 0.0 109.79 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB1' ' HD3' ' A' ' 60' ' ' ARG . . . -102.88 80.27 1.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.329 -177.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.845 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 17.5 m-20 -104.21 41.6 1.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.724 -176.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.681 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 23.8 t-20 -162.48 88.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 111.723 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.641 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 22.4 p 67.06 -38.82 0.34 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 168.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -89.12 127.97 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -168.571 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.421 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.9 mpp? -141.14 157.83 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.895 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -123.43 141.21 52.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.842 -0.536 . . . . 0.0 111.074 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.04 120.47 41.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.747 HG21 ' HE2' ' A' ' 52' ' ' LYS . 1.2 tp -124.56 115.76 45.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.428 0.632 . . . . 0.0 111.56 -176.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.882 HD13 HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -128.45 114.05 19.62 Favored Pre-proline 0 N--CA 1.448 -0.551 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.672 177.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.677 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.5 Cg_exo -54.12 115.18 2.19 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.096 2.531 . . . . 0.0 112.945 -172.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.95 -55.21 0.55 Allowed Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.686 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 38.6 mt-10 -88.73 -71.84 0.57 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.624 ' H ' HG23 ' A' ' 65' ' ' ILE . 10.3 pt20 43.48 -157.72 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.427 1.08 . . . . 0.0 113.609 169.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 65.7 29.94 10.53 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.493 0.663 . . . . 0.0 109.95 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -105.25 111.75 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.703 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.43 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -106.97 141.48 38.12 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.754 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -121.17 137.03 54.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.143 -174.066 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 85.4 tttt -148.13 120.53 8.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 169.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.94 176.23 9.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.373 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.898 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.2 t -55.88 -54.68 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.064 0.459 . . . . 0.0 110.649 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.521 ' C ' HG22 ' A' ' 59' ' ' THR . 32.1 p30 -143.72 177.98 8.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.304 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -54.61 -39.18 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 111.22 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.06 88.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.834 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.898 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.6 mm-40 -60.87 -36.44 79.19 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.301 0.572 . . . . 0.0 110.349 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.845 ' NH1' ' HA ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -56.75 -40.32 75.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.989 174.496 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.496 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.9 tp60 -64.92 -33.9 77.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.037 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 57.0 mtt180 -63.66 -44.1 94.77 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.096 0.474 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.518 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.9 m95 -68.27 -35.33 77.71 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.073 175.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.626 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.5 mp -63.15 -31.15 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.932 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.86 -51.64 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.09 25.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.084 0.469 . . . . 0.0 112.071 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 84' ' ' TRP . 23.4 mt -73.98 -40.13 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.612 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.94 -30.02 70.43 Favored Glycine 0 CA--C 1.512 -0.129 0 CA-C-N 115.773 -0.648 . . . . 0.0 113.327 -173.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -63.96 -30.78 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 50.8 m -69.77 -37.56 76.41 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.752 173.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.527 ' HD3' ' HB ' ' A' ' 53' ' ' VAL . 16.1 ttpp -59.46 -21.1 59.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.47 91.36 0.12 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.885 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t 66.35 53.07 1.03 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.676 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.661 HD21 ' O ' ' A' ' 46' ' ' MET . 19.0 tp -103.04 131.06 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.364 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.7 p 53.01 138.24 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -80.23 159.51 25.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.664 173.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.2 p 48.78 51.57 15.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.438 0.637 . . . . 0.0 110.66 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -67.36 163.89 19.75 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.028 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.1 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.795 -177.006 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -7' ' ' GLY . . . . . 0.451 ' HA2' ' OG ' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.98 128.5 23.16 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.834 2.356 . . . . 0.0 111.361 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 50.4 tp -89.31 118.18 28.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 82.1 -73.46 2.63 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.296 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.824 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 11.2 t -161.45 -44.51 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.464 0 CA-C-O 118.857 -0.592 . . . . 0.0 112.224 -177.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.824 ' HD2' ' H ' ' A' ' -3' ' ' SER . 0.9 OUTLIER -44.57 107.54 0.1 Allowed 'Trans proline' 0 C--N 1.365 1.403 0 C-N-CA 123.01 2.473 . . . . 0.0 113.183 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -122.13 68.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.431 -0.804 . . . . 0.0 108.971 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 78.9 t80 -125.85 129.73 49.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.172 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tpt -140.35 139.7 35.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -140.39 163.68 32.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.578 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.33 24.4 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.431 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -112.26 157.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 117.666 0.733 . . . . 0.0 110.565 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 84' ' ' TRP . 3.6 mm? -132.41 150.07 52.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.187 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.676 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -71.49 119.84 16.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.808 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -123.52 123.41 40.55 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -85.56 128.95 34.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.579 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.0 p -109.98 -81.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.708 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -127.09 156.78 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -68.45 -21.97 64.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.42 -41.02 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.936 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.647 ' HB ' ' NE2' ' A' ' 16' ' ' GLN . 3.1 p -82.34 -40.4 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.292 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.49 -125.85 8.72 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.749 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.615 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.7 p-90 -110.22 136.38 49.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.647 ' NE2' ' HB ' ' A' ' 13' ' ' THR . 23.5 mp0 -121.37 120.88 28.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.526 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.96 126.24 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.277 1.985 . . . . 0.0 111.983 170.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.602 HH11 ' HA ' ' A' ' 31' ' ' ASP . 22.9 mmt180 -129.64 155.77 45.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -94.01 120.9 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 110.179 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 58.7 m-85 -115.97 148.91 39.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.54 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' HE2' ' A' ' 30' ' ' TYR . 34.7 m -135.58 135.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.999 0.428 . . . . 0.0 110.445 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.78 120.3 40.36 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -138.88 106.19 5.52 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 123.299 0.374 . . . . 0.0 110.451 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 49.22 64.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.53 -10.47 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.978 -0.63 . . . . 0.0 113.986 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mm -114.86 130.91 68.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.859 0.829 . . . . 0.0 111.128 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.6 111.28 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -113.27 144.38 42.82 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 122.312 -0.242 . . . . 0.0 111.025 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 41.2 p90 -117.89 139.04 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.691 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.536 ' HE2' HG22 ' A' ' 21' ' ' VAL . 71.1 m-85 -130.57 177.85 7.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.765 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HA ' HH11 ' A' ' 18' ' ' ARG . 13.0 t70 -69.02 -38.47 79.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.433 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 11.5 p -172.5 -171.93 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 -176.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -44.93 86.61 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.284 0.365 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.69 -39.65 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.861 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 26.6 t70 -74.0 -14.58 61.04 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.531 -172.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.8 -38.9 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.499 . . . . 0.0 110.724 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.2 t -70.35 -23.04 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.344 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 13.8 mmtm -61.35 -40.69 95.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.325 0.583 . . . . 0.0 110.981 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.85 115.72 3.45 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.112 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 p -77.44 136.5 38.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.287 0.565 . . . . 0.0 112.028 -174.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 7.4 mptt -93.03 -24.03 18.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.992 174.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.75 85.26 0.39 Allowed Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.762 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 m -108.08 161.07 15.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.7 mt -110.89 120.72 62.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.568 0.699 . . . . 0.0 110.323 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -83.84 114.47 21.66 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.43 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.42 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -63.99 -28.85 70.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.965 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.603 ' HA ' HD21 ' A' ' 95' ' ' LEU . . . -67.86 -15.24 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.995 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.885 HG13 HD13 ' A' ' 65' ' ' ILE . 8.2 p -125.0 0.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.525 0.678 . . . . 0.0 110.336 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.626 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 41.2 t -126.19 134.74 51.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.428 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.66 ' HB2' HG23 ' A' ' 64' ' ' ILE . 53.3 mt-10 -89.36 134.76 33.93 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.444 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.654 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.91 115.88 41.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 165.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -85.38 109.34 18.34 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.234 0.54 . . . . 0.0 109.766 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 51' ' ' ILE . 74.2 t -128.14 126.73 66.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.358 -175.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -155.2 130.63 9.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.217 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.472 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 69.8 m 59.32 -172.15 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.932 0.77 . . . . 0.0 112.91 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.14 35.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.875 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.472 ' OD1' ' HB2' ' A' ' 55' ' ' SER . 3.9 m-20 -55.05 152.13 8.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.791 175.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -87.72 104.71 16.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.507 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.599 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 43.4 p 52.44 59.49 4.47 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.744 177.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -128.56 99.48 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.804 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.786 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.1 mpp? -141.78 155.35 45.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.603 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -136.58 141.59 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.095 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.01 120.28 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.66 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -124.86 116.07 46.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.553 0.692 . . . . 0.0 111.027 -178.068 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.885 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -126.38 115.2 23.33 Favored Pre-proline 0 N--CA 1.447 -0.579 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.739 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' A' ' 65' ' ' ILE . 43.4 Cg_exo -56.55 114.81 2.08 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.918 2.412 . . . . 0.0 112.279 -175.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.78 -58.63 0.69 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.804 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 24.5 mt-10 -101.91 -62.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.437 ' HG2' ' C ' ' A' ' 68' ' ' GLU . 17.1 pt20 46.28 -162.25 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.337 1.055 . . . . 0.0 113.564 171.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 67.9 40.78 2.26 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.382 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.65 112.34 23.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.789 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -108.45 146.94 32.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mtt -127.86 137.28 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.263 0.554 . . . . 0.0 112.205 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.676 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 78.8 tttt -138.28 122.11 17.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.225 166.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -79.72 -179.71 7.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.245 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.77 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 94.4 t -59.04 -55.74 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.11 0.481 . . . . 0.0 110.746 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.483 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -145.56 170.68 15.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.838 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -49.33 -42.71 42.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.35 97.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.009 0.433 . . . . 0.0 111.412 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.77 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 20.7 mm-40 -64.8 -33.69 76.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.595 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.786 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 26.8 ttt180 -58.63 -45.23 89.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.0 tp60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.787 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -62.26 -45.53 92.88 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.055 0.455 . . . . 0.0 111.035 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.499 ' HB3' HD12 ' A' ' 88' ' ' LEU . 92.8 m95 -68.84 -36.6 78.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 109.937 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.2 mp -60.34 -32.54 71.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.097 175.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 82' ' ' GLN . 41.8 t -62.78 -51.76 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.894 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.28 15.19 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.029 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.581 ' HB3' HG12 ' A' ' 51' ' ' ILE . 35.3 mt -73.48 -44.94 56.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.339 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.47 -33.27 86.79 Favored Glycine 0 C--O 1.229 -0.163 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.811 -173.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.451 ' OG ' ' HA2' ' A' ' -7' ' ' GLY . 19.9 m -65.24 -31.97 73.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.025 0.44 . . . . 0.0 110.193 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 t -70.51 -32.03 69.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.54 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.64 ' HA ' ' NH1' ' A' ' 99' ' ' ARG . 14.3 tttm -70.14 -39.95 75.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.902 0.382 . . . . 0.0 111.076 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.71 117.97 10.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.857 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m 63.84 38.84 8.75 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.405 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.674 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 58.0 tp -118.81 138.14 52.91 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.0 p 57.36 170.23 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.176 0.991 . . . . 0.0 112.66 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -106.14 151.35 24.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.99 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p 48.87 61.57 3.03 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.834 0.709 . . . . 0.0 111.468 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.674 ' NH1' ' HB3' ' A' ' 95' ' ' LEU . 2.4 ttt180 -97.93 148.23 23.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.555 -175.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.208 179.18 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -7' ' ' GLY . . . . . 0.405 ' HA2' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.95 122.18 11.17 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.441 2.094 . . . . 0.0 111.281 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -5' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' -5' ' ' LEU . 0.2 OUTLIER -67.91 106.43 2.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.162 0.506 . . . . 0.0 110.024 -176.403 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.52 -68.67 3.31 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.05 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.545 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 72.4 m -162.72 -48.94 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.545 ' HD2' ' H ' ' A' ' -3' ' ' SER . 71.5 Cg_exo -50.74 110.65 0.42 Allowed 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.583 2.189 . . . . 0.0 113.469 -177.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -103.5 79.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.646 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 74.7 t80 -126.21 137.25 53.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.084 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -140.06 140.29 36.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.264 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.7 153.45 49.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.79 -165.67 28.82 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.26 160.87 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 117.12 0.46 . . . . 0.0 110.39 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -133.22 151.73 51.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.202 176.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.741 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -67.9 119.79 13.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.982 171.465 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 1.7 tmtp? -116.96 116.64 27.77 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -74.4 123.03 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.126 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 p -106.26 -65.26 1.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -155.24 166.77 32.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -70.33 -26.89 63.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.723 0.297 . . . . 0.0 110.817 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.85 -41.58 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.037 0.446 . . . . 0.0 111.129 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 p -86.11 -27.2 24.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.546 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.8 -121.67 5.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.633 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.741 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.3 p-90 -113.7 145.18 41.73 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 21.6 mm-40 -130.75 121.88 19.29 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.426 176.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 37.9 Cg_endo -67.71 114.98 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.643 2.228 . . . . 0.0 111.883 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -112.32 154.24 25.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -93.58 127.79 39.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.7 m-85 -129.69 145.52 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.835 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG22 ' HE1' ' A' ' 30' ' ' TYR . 27.9 m -134.09 136.4 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.976 0.417 . . . . 0.0 110.064 174.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 27' ' ' LEU . 3.0 tm? -102.29 119.44 38.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -144.44 131.3 20.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.16 0.505 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 57.73 31.53 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.123 173.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.69 8.32 87.0 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.066 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.69 134.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.543 -0.386 . . . . 0.0 110.246 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -105.67 110.03 22.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -108.41 148.86 29.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -176.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -110.84 145.17 38.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 97.3 m-85 -133.96 162.63 31.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.484 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.53 -37.66 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.417 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 3.2 p -161.16 -176.72 5.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.889 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.19 -47.88 78.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.521 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' OD2' ' HE2' ' A' ' 38' ' ' LYS . 17.1 t70 -71.7 -19.16 62.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.61 -177.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.734 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 36.4 t70 -68.39 -18.05 64.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.128 0.49 . . . . 0.0 110.226 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.656 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 90.7 t -61.36 -41.5 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.915 174.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 t -68.25 -29.71 68.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.54 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.734 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 40.1 mmtt -66.9 -27.68 67.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.749 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.69 132.86 7.39 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.34 137.21 57.79 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.316 0.579 . . . . 0.0 111.745 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.609 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 5.6 mptt -81.11 -17.5 49.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.87 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.97 168.91 40.59 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.814 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.7 m -146.17 156.34 43.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.003 0.43 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.31 120.15 60.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.563 0.697 . . . . 0.0 109.468 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HG2' HG12 ' A' ' 48' ' ' VAL . 22.0 ttmt -84.08 104.35 14.07 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.427 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.2 -26.87 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 111.585 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.692 ' HA ' HD21 ' A' ' 95' ' ' LEU . . . -67.97 -15.62 63.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.937 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.683 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -125.36 -2.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.434 0.635 . . . . 0.0 110.372 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.838 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 33.6 m -122.36 127.94 50.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.255 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.767 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.6 mm-40 -87.93 128.99 35.37 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.297 0.57 . . . . 0.0 110.726 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.62 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -97.92 122.5 49.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.704 ' HE3' HG21 ' A' ' 64' ' ' ILE . 13.3 mmtp -84.58 107.08 16.61 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.721 -172.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.62 HG23 HG13 ' A' ' 51' ' ' ILE . 88.8 t -135.52 111.82 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.005 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -125.67 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.278 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 p -113.02 163.99 14.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.057 0.456 . . . . 0.0 111.464 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.548 ' HA ' HH12 ' A' ' 81' ' ' ARG . . . -78.89 64.39 3.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.658 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.49 -176.31 6.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -104.39 106.64 17.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.962 0.411 . . . . 0.0 110.472 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.624 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 73.6 p 52.21 61.97 2.93 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.208 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -131.91 94.34 3.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.49 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.2 mpp? -139.24 153.86 47.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -136.76 139.74 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.002 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.94 121.01 43.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.767 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -123.42 115.7 46.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.451 0.643 . . . . 0.0 110.718 -179.182 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.838 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -130.28 119.94 18.83 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.936 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.9 Cg_exo -56.15 124.8 17.15 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.628 2.219 . . . . 0.0 111.96 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.68 -52.22 0.68 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.958 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 24.7 mt-10 -110.48 -68.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.74 -0.27 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 12.1 pt20 48.62 -161.46 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.081 0.952 . . . . 0.0 113.326 174.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 64.78 50.95 1.92 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.698 0.761 . . . . 0.0 110.104 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.72 116.34 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.992 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -110.42 139.32 45.76 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.481 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 28.6 mtt -121.42 136.85 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.181 0.515 . . . . 0.0 111.378 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.695 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 81.0 tttt -134.98 121.1 20.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.94 178.93 7.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.845 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 80.5 t -58.6 -55.88 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.692 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.471 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -142.73 171.51 13.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.194 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.71 -41.43 31.77 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.08 90.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.845 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 17.6 mm-40 -60.94 -36.11 78.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 109.92 177.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.624 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.73 -45.82 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.982 174.266 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 1.8 tt0 -68.31 -32.46 72.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.521 -176.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -61.44 -42.69 99.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.919 0.39 . . . . 0.0 110.631 176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -66.62 -38.84 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.145 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.599 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 6.7 mp -60.14 -32.72 71.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.507 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 82' ' ' GLN . 48.8 t -63.54 -51.74 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.006 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.97 25.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 111.597 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' HB3' HG12 ' A' ' 51' ' ' ILE . 25.4 mt -72.46 -37.26 68.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.235 0.54 . . . . 0.0 111.135 -176.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.85 -31.65 73.04 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.886 -0.674 . . . . 0.0 111.605 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -61.77 -35.91 79.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -66.8 -49.59 65.34 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.475 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -37.25 86.65 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.8 126.47 28.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.762 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.1 p 51.88 48.07 23.52 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.746 0.818 . . . . 0.0 112.344 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.692 HD21 ' HA ' ' A' ' 47' ' ' ALA . 32.5 tp -130.92 130.64 43.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 176.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.5 p 51.22 -177.74 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.22 170.98 10.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.123 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.2 p 51.7 57.9 6.05 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.914 0.759 . . . . 0.0 110.886 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 66.8 mtm180 -89.34 -175.67 4.82 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.296 -176.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.573 HG23 ' HE2' ' A' ' 52' ' ' LYS . 3.5 t . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.268 -0.872 . . . . 0.0 109.968 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' GLY . . . . . 0.424 ' HA2' ' HD3' ' A' ' -6' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.704 0 CA-C-O 120.065 -0.297 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.424 ' HD3' ' HA2' ' A' ' -7' ' ' GLY . 6.1 Cg_exo -77.29 95.32 1.07 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.732 2.288 . . . . 0.0 110.388 175.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -108.63 121.93 46.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.235 -171.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.47 -57.98 4.69 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 17.9 m -102.29 128.38 28.48 Favored Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.519 -0.341 . . . . 0.0 110.585 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 12.1 Cg_exo -70.38 136.94 32.54 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.015 2.477 . . . . 0.0 111.861 178.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.03 134.56 53.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.216 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -113.94 123.08 48.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -137.27 137.16 38.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.759 0.314 . . . . 0.0 111.173 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -143.5 162.09 36.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.991 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.44 179.87 22.91 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.511 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -106.2 157.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.213 0.53 . . . . 0.0 110.155 178.711 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -131.41 151.34 51.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.034 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.673 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -70.62 99.84 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.945 175.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -99.01 115.37 28.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.024 0.44 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.01 139.04 48.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.823 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -120.05 -68.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -143.38 163.23 33.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -62.79 -33.71 75.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.82 -41.07 62.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -84.25 -31.37 25.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.812 -176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.98 -119.16 5.03 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.616 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 12.4 p-90 -119.18 154.42 33.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 -177.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -127.71 123.0 22.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.676 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.55 105.37 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.6 2.2 . . . . 0.0 111.91 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 32.7 mmt180 -111.25 150.55 29.45 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.371 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.409 ' CE3' HG12 ' A' ' 4' ' ' VAL . 39.3 t-105 -94.16 125.47 38.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.249 -173.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 5' ' ' LEU . 58.1 m-85 -120.13 148.08 44.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.999 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -135.69 136.58 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.468 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.611 HD23 HD23 ' A' ' 27' ' ' LEU . 2.7 tm? -102.53 119.12 38.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.55 115.74 8.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -174.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 54.33 38.69 29.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.833 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 2.95 86.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.383 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 37.6 mm -113.43 128.14 70.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.903 0.383 . . . . 0.0 110.247 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD23 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -100.76 108.79 20.71 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 m -108.0 146.63 32.24 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.7 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -116.18 146.12 42.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.916 0.389 . . . . 0.0 110.022 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.739 ' HE1' ' H ' ' A' ' 40' ' ' SER . 72.8 m-85 -136.57 169.71 17.25 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.64 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.86 -38.43 91.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.025 0.44 . . . . 0.0 110.191 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.449 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 13.7 p -172.06 -173.26 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.031 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -56.34 -45.49 80.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.533 ' OD2' ' HE2' ' A' ' 38' ' ' LYS . 31.5 t70 -66.39 -33.49 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.035 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.789 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 32.5 t70 -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.006 -177.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 30' ' ' TYR . 95.9 t -60.19 -40.42 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.27 0.557 . . . . 0.0 110.074 175.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.9 t -72.01 -28.27 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.545 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.789 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 48.5 mmtt -62.42 -46.29 89.23 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.347 0.594 . . . . 0.0 110.497 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.34 68.03 1.08 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.596 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.739 ' H ' ' HE1' ' A' ' 30' ' ' TYR . 72.4 m -67.91 142.78 55.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.059 0.457 . . . . 0.0 111.107 176.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -84.12 27.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.511 -175.178 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.37 118.28 3.9 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.687 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 8.8 p -146.97 152.68 39.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -112.09 120.47 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.314 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HB3' HG12 ' A' ' 48' ' ' VAL . 31.9 ttmt -77.8 116.51 18.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.735 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.438 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.7 mtp -64.16 -30.84 71.88 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -9.76 54.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.655 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.915 HG13 HD13 ' A' ' 65' ' ' ILE . 9.8 p -126.2 1.21 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.223 0.535 . . . . 0.0 110.463 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.698 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.6 t -129.94 131.45 45.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -175.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.68 ' HB2' HG23 ' A' ' 64' ' ' ILE . 20.3 mt-10 -88.92 132.26 34.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.574 HG13 HG23 ' A' ' 53' ' ' VAL . 1.2 tp -98.61 119.59 46.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 165.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -84.24 106.95 16.26 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.397 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 51' ' ' ILE . 96.2 t -120.55 108.94 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.784 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -158.81 156.64 30.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.382 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m 68.17 -174.25 0.19 Allowed 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.842 0.714 . . . . 0.0 111.9 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.34 145.27 52.07 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.301 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.746 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 7.4 p-10 -81.01 128.27 33.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.014 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' HA ' ' CB ' ' A' ' 78' ' ' ALA . 32.8 t-20 -169.58 75.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.847 172.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.857 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 21.8 p 68.23 -41.6 0.45 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.402 1.481 . . . . 0.0 114.895 172.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -73.14 116.24 13.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.0 156.95 38.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.111 0.481 . . . . 0.0 111.17 165.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -121.01 143.81 48.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.481 -174.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.76 121.91 45.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.409 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -124.38 117.01 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.318 0.58 . . . . 0.0 110.779 -178.829 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.915 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.08 119.63 18.89 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.525 -178.274 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.615 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.2 Cg_exo -55.97 121.69 10.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.567 2.178 . . . . 0.0 111.659 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.4 -55.23 0.7 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -114.62 -65.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.512 ' HB2' HD12 ' A' ' 64' ' ' ILE . 9.3 pt20 52.77 -173.14 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 60.77 50.22 5.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.916 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.84 111.55 24.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.376 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -99.91 129.64 46.01 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.594 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 86.7 mtp -124.56 136.48 54.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.154 0.502 . . . . 0.0 109.841 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -132.5 127.01 34.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.9 177.72 8.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.862 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 t -59.91 -60.48 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.665 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.421 ' ND2' ' HG2' ' A' ' 80' ' ' GLU . 12.0 p30 -136.39 178.3 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.11 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 58' ' ' ASN . . . -49.8 -47.61 51.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.98 0.512 . . . . 0.0 112.275 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.15 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.862 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 13.3 mm-40 -63.97 -38.46 91.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.353 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.857 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 10.7 ttt180 -59.26 -44.32 92.42 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.546 173.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 86' ' ' VAL . 57.5 tp60 -59.87 -33.01 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.553 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -63.35 -46.18 87.73 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.138 0.494 . . . . 0.0 110.409 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.494 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.5 m95 -65.07 -37.71 88.43 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.811 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.617 HD13 ' HG2' ' A' ' 81' ' ' ARG . 6.3 mp -63.11 -32.1 73.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.507 178.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.55 -51.84 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.853 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.34 22.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.995 0.426 . . . . 0.0 111.896 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 84' ' ' TRP . 44.7 mt -72.84 -39.98 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.593 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.85 -30.67 77.63 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.889 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -63.98 -28.41 69.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.623 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 50.1 m -70.14 -49.66 48.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.743 174.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' HE2' ' HB ' ' A' ' 53' ' ' VAL . 17.3 ttpp -56.84 -42.64 80.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.481 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.09 100.21 0.74 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.405 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t 68.97 59.01 0.36 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.195 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.951 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 17.2 tp -101.61 -173.04 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.656 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.681 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -65.69 -176.63 0.38 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.87 177.12 0.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.166 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.3 p 52.5 64.78 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.706 -1.134 . . . . 0.0 112.512 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.951 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 61.3 mtm180 -121.25 91.65 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.46 174.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.342 -0.837 . . . . 0.0 111.729 -175.715 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.78 ' HG2' ' HG3' ' A' ' -1' ' ' GLU . 99.2 Cg_exo -48.86 108.48 0.19 Allowed 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.794 2.996 . . . . 0.0 113.658 178.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.73 117.74 31.1 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 79.74 -55.5 4.48 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.018 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 18.9 p -65.8 132.02 94.75 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.04 121.13 9.35 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.105 2.537 . . . . 0.0 112.848 -176.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.78 ' HG3' ' HG2' ' A' ' -6' ' ' PRO . 37.9 tt0 -76.46 83.67 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.4 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -126.56 135.01 50.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.065 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -139.95 141.14 36.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.129 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.21 151.42 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.56 -170.26 33.49 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.04 160.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 117.309 0.554 . . . . 0.0 110.425 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' HG2' ' A' ' 73' ' ' MET . 3.0 mm? -135.26 150.97 50.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.199 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.765 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -74.61 120.08 19.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.065 172.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -113.78 117.56 31.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -67.9 131.48 45.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.818 0.342 . . . . 0.0 110.177 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -114.12 -79.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.53 162.25 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -63.09 -29.57 70.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.419 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.27 -40.75 64.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 111.588 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -88.08 -24.63 23.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.711 -177.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 -122.14 5.96 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.009 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.765 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.6 p-90 -108.75 144.08 37.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -177.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -130.86 122.76 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.987 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.35 131.05 14.64 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.67 2.247 . . . . 0.0 112.032 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -133.05 160.15 37.99 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -93.44 123.7 36.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.137 0.494 . . . . 0.0 110.268 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 55.8 m-85 -121.25 145.25 48.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.698 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 m -135.28 138.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.009 0.433 . . . . 0.0 110.424 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.521 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -100.57 118.78 37.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -134.63 106.6 7.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.001 0.905 . . . . 0.0 111.286 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 53.39 60.14 3.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.118 172.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.81 -8.7 58.98 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.772 -0.728 . . . . 0.0 114.055 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.89 136.21 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 117.495 0.648 . . . . 0.0 110.278 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 HD23 ' A' ' 22' ' ' LEU . 3.2 tm? -102.86 110.21 22.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -107.6 130.63 54.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.579 0.704 . . . . 0.0 111.364 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 31.2 p90 -100.67 140.99 34.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.022 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.9 m-85 -136.41 159.05 42.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.15 0.5 . . . . 0.0 110.024 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -76.21 -23.21 54.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.503 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.489 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 14.4 t -158.22 -174.08 4.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.881 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.49 -52.74 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.36 -21.53 66.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.76 0.791 . . . . 0.0 110.366 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.612 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 27.0 t70 -67.03 -20.81 65.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.837 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.604 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 97.0 t -59.9 -37.11 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.124 0.487 . . . . 0.0 111.132 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.7 m -75.49 -21.54 57.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.676 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.612 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 47.7 mmtt -65.23 -36.35 83.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.137 0.494 . . . . 0.0 111.323 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.07 126.87 4.8 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.484 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.2 p -89.22 138.29 31.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.102 0.477 . . . . 0.0 111.242 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.26 30.56 6.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.998 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.36 -87.75 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.832 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m 69.21 171.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.389 0.614 . . . . 0.0 111.504 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.472 HG23 ' SG ' ' A' ' 49' ' ' CYS . 77.4 mt -111.82 120.72 62.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.184 -176.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 25.9 ttmt -83.91 103.65 13.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.943 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.638 ' O ' HD21 ' A' ' 95' ' ' LEU . 94.6 mmm -57.98 -26.17 61.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.363 . . . . 0.0 111.707 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -70.37 -13.79 62.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.8 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -126.1 2.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.512 0.672 . . . . 0.0 109.971 176.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.906 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 37.5 m -127.87 117.96 22.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.818 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' ILE . 2.0 mp0 -87.35 135.26 33.39 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.414 0.626 . . . . 0.0 110.706 -176.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.682 HG13 HG23 ' A' ' 53' ' ' VAL . 1.9 tp -98.39 118.85 45.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 25.5 mmmt -85.07 107.75 17.32 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.433 0.635 . . . . 0.0 109.726 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.682 HG23 HG13 ' A' ' 51' ' ' ILE . 63.9 t -134.98 107.77 8.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.697 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -148.22 -50.74 0.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -62.78 -32.69 73.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.15 -176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 58.06 37.05 26.47 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.276 0.56 . . . . 0.0 110.918 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.535 ' HB3' ' HD2' ' A' ' 60' ' ' ARG . 4.5 t0 -85.4 179.77 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.544 -176.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.662 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 3.1 t30 -69.17 99.62 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.857 0.361 . . . . 0.0 111.384 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.668 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 67.6 p 54.82 39.54 31.49 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.662 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 97.7 mtt180 -118.86 98.11 6.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.916 0.389 . . . . 0.0 111.202 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.465 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.3 mpp? -134.65 156.6 48.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 52' ' ' LYS . 28.2 tt0 -127.1 136.89 52.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -109.24 121.08 44.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -123.55 118.62 54.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 121.236 0.541 . . . . 0.0 110.918 -179.049 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.906 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -126.01 116.84 23.96 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.794 177.198 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.601 ' HD2' HD12 ' A' ' 65' ' ' ILE . 31.3 Cg_exo -59.0 113.22 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.959 2.439 . . . . 0.0 112.101 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.58 -59.89 0.68 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.861 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.52 -59.42 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 65' ' ' ILE . 25.5 pt20 45.04 -157.32 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.152 0.981 . . . . 0.0 113.188 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 t60 68.7 43.88 1.24 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.521 0.677 . . . . 0.0 110.154 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -117.0 112.09 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.485 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -105.64 142.55 35.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.442 ' HG2' ' HG ' ' A' ' 5' ' ' LEU . 19.9 mtt -121.75 137.85 54.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.117 0.484 . . . . 0.0 111.428 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.699 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 32.2 tttm -140.72 120.63 13.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 169.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.51 -178.23 6.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.765 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.5 t -60.83 -61.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 110.474 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.12 164.4 30.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.659 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.05 -40.94 15.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.58 98.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 0.0 111.684 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.765 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 9.5 mm-40 -60.96 -39.26 88.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.349 0.595 . . . . 0.0 109.761 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.668 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.3 ttp180 -57.75 -44.63 86.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.454 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.539 ' HB2' HH21 ' A' ' 81' ' ' ARG . 27.4 tp60 -61.97 -35.06 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.652 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -65.02 -44.63 88.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.594 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.408 ' HB3' HD12 ' A' ' 88' ' ' LEU . 91.5 m95 -62.88 -39.92 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.204 0.526 . . . . 0.0 110.129 173.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.532 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.5 mp -60.88 -32.85 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.82 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 82' ' ' GLN . 56.6 t -65.88 -51.59 59.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.558 0.218 . . . . 0.0 111.074 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.44 -49.16 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.607 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.1 mt -72.2 -37.02 69.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.049 0.452 . . . . 0.0 110.681 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.17 74.62 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.889 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -57.12 -41.23 78.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 33.5 t -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.781 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 22.1 ttpt -58.06 -40.55 81.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.023 0.439 . . . . 0.0 111.547 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.08 95.28 2.52 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.131 -177.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.6 t 69.69 78.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.779 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.06 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 13.5 tp -107.96 -168.36 1.36 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.052 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.633 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -73.19 177.86 4.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.998 0.428 . . . . 0.0 112.017 177.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.54 167.22 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.089 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.0 p 55.76 75.84 0.31 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.979 0.912 . . . . 0.0 112.728 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 1.06 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 77.2 mtm180 -120.12 123.11 42.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.623 173.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.253 1.274 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.264 -179.026 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.886 0 N-CA-C 112.066 -0.413 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -83.9 123.1 3.13 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.877 2.385 . . . . 0.0 111.954 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -117.25 92.16 3.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -54.97 4.52 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.879 -177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 9.0 p -71.63 145.49 89.96 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.543 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.44 142.36 54.01 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.508 2.139 . . . . 0.0 111.838 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.17 142.61 41.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.296 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -122.77 120.96 35.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.739 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.605 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.44 145.89 37.57 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.047 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -157.6 149.14 21.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.735 0.302 . . . . 0.0 110.274 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.38 -167.96 35.79 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.464 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -113.75 160.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 117.636 0.718 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.5 mm? -135.29 158.45 44.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.933 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.726 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -71.39 99.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -98.62 118.28 34.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -69.8 132.21 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.597 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -116.2 -73.03 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.068 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -143.33 161.53 38.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -63.42 -26.26 68.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.832 0.349 . . . . 0.0 111.086 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.78 -41.57 62.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.39 . . . . 0.0 111.462 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -88.59 -24.12 22.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.992 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.2 -116.2 4.27 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.143 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.709 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.1 p-90 -111.0 144.95 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.833 0.349 . . . . 0.0 110.169 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -131.56 124.01 19.76 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.94 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.9 130.2 28.5 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.337 2.025 . . . . 0.0 111.524 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -132.82 150.71 52.13 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.405 ' H ' ' HD3' ' A' ' 18' ' ' ARG . 49.2 t-105 -94.21 126.2 39.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.22 0.533 . . . . 0.0 110.503 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD1' HD23 ' A' ' 5' ' ' LEU . 96.3 m-85 -126.04 148.52 49.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.851 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HD22 ' A' ' 27' ' ' LEU . 31.3 m -131.34 135.8 58.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 3.1 tm? -103.12 119.79 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 174.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 107.72 5.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.659 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.5 39.27 30.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.979 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 -3.16 82.1 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.728 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mm -107.57 131.46 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.788 0.328 . . . . 0.0 110.17 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 22' ' ' LEU . 2.1 tm? -108.25 109.87 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -109.79 144.5 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.79 0.328 . . . . 0.0 111.017 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -106.98 140.02 40.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.156 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 71.6 m-85 -138.23 156.23 47.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.146 0.498 . . . . 0.0 110.535 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -75.99 -28.29 57.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.086 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.478 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 40.5 p -158.47 178.39 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -66.28 -31.97 73.09 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.407 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' H ' ' A' ' 32' ' ' SER . 31.9 t70 -68.68 -19.36 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.599 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.441 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 92.8 t -62.56 -38.12 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.7 t -67.55 -23.63 65.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.003 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -66.39 -41.09 89.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.77 90.46 0.67 Allowed Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.384 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -63.83 140.17 58.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 110.998 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 8.1 mptt -84.54 7.34 20.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.369 0.604 . . . . 0.0 110.718 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.71 126.19 5.22 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.189 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.7 m -145.03 171.96 13.74 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.482 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 71.8 mt -110.8 121.18 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.052 0.453 . . . . 0.0 109.937 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -85.5 112.2 20.69 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.014 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.697 ' O ' HD21 ' A' ' 95' ' ' LEU . 90.6 mmm -66.83 -28.08 68.07 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.359 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.911 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -64.0 -15.53 59.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.743 0.306 . . . . 0.0 111.526 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 65' ' ' ILE . 9.3 p -125.44 4.85 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.622 0.725 . . . . 0.0 110.057 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.771 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 18.7 t -125.39 128.32 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.607 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.581 ' HB2' HG23 ' A' ' 64' ' ' ILE . 8.1 mt-10 -89.31 132.89 34.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.459 0.647 . . . . 0.0 111.314 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.607 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -97.64 123.02 49.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 168.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 9.5 mmmm -84.99 108.12 17.45 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.841 -171.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.607 HG23 HG13 ' A' ' 51' ' ' ILE . 94.0 t -135.21 104.62 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.867 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 25.6 t-80 174.96 -46.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.212 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -107.18 19.56 20.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.212 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.23 151.96 20.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.156 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -100.05 -155.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -58.84 132.75 54.88 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 171.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.902 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 19.8 p 57.19 -149.44 0.46 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 123.714 0.634 . . . . 0.0 110.884 -176.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.551 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 17.2 ptt180 36.01 99.86 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.618 ' HG3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -138.69 157.54 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.597 173.266 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -111.02 143.86 41.05 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.996 0.427 . . . . 0.0 111.789 -167.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -117.1 122.13 43.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.49 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -123.67 115.73 46.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.798 0.809 . . . . 0.0 110.791 -178.69 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.09 119.13 15.49 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.141 -177.439 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.579 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.5 Cg_exo -60.29 108.39 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.206 1.938 . . . . 0.0 111.823 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.24 -66.3 0.51 Allowed Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.993 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -97.9 -63.02 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.579 ' H ' HG23 ' A' ' 65' ' ' ILE . 12.2 pt20 49.22 -168.65 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.462 1.105 . . . . 0.0 113.092 176.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 64.93 27.87 12.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.321 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -93.73 111.49 23.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.405 0.622 . . . . 0.0 110.349 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.61 121.13 44.36 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.478 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 76.5 mtp -121.67 137.07 54.9 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.044 0.45 . . . . 0.0 109.951 -175.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.726 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 40.2 ttmt -132.27 129.46 39.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.23 177.33 6.91 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.261 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.873 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 63.7 t -58.67 -59.09 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.423 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.6 p30 -136.99 176.8 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.187 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -51.06 -42.99 60.9 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 83' ' ' ARG . . . -64.33 -41.97 96.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.958 0.408 . . . . 0.0 110.997 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.873 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 22.0 mm-40 -61.43 -39.62 91.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.468 0.652 . . . . 0.0 110.072 176.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.902 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.2 ttp180 -58.54 -44.28 89.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.73 174.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.3 tp60 -62.27 -32.86 73.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.806 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 79' ' ' ALA . 54.2 mtp180 -63.03 -45.89 90.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.287 0.565 . . . . 0.0 110.726 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -67.82 -36.38 80.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 61' ' ' MET . 5.9 mp -66.98 -30.24 70.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.797 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.1 t -64.2 -51.25 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.964 -0.46 . . . . 0.0 111.011 172.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.72 -49.18 41.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 111.337 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.29 -39.31 65.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.639 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 85' ' ' LEU . . . -65.25 -29.57 75.61 Favored Glycine 0 CA--C 1.511 -0.201 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.169 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.0 p -60.47 -31.34 70.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.314 0.578 . . . . 0.0 109.495 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 22.7 t -70.68 -36.24 73.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.695 174.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -68.91 -22.9 64.13 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.085 0.469 . . . . 0.0 110.474 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.07 106.49 6.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.461 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.1 p 49.81 72.48 0.32 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.489 0.716 . . . . 0.0 111.888 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' A' ' 47' ' ' ALA . 13.7 tp -98.04 158.92 15.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.888 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 p -75.4 159.52 31.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.35 -0.386 . . . . 0.0 112.003 -177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 t70 71.23 169.88 0.32 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.987 0.804 . . . . 0.0 110.88 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.0 p -74.68 125.6 29.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.526 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -99.15 149.28 23.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.971 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.381 -0.818 . . . . 0.0 110.86 -178.494 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.678 ' CB ' ' HG2' ' A' ' -1' ' ' GLU . 6.8 Cg_exo -72.64 78.86 1.98 Allowed 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.069 2.513 . . . . 0.0 111.718 -179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -123.56 118.81 28.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.579 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 86.69 -55.16 4.66 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.31 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.5 m -89.35 140.43 28.56 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.67 151.8 67.45 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.931 2.421 . . . . 0.0 111.993 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.678 ' HG2' ' CB ' ' A' ' -6' ' ' PRO . 4.9 mt-10 -78.68 79.58 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.114 -177.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 0' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 76.3 t80 -123.75 123.25 40.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.644 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt -140.21 144.58 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.829 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.639 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -148.23 158.43 44.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.915 0.388 . . . . 0.0 111.617 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.27 -167.44 32.9 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.491 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -115.88 159.39 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.771 0.786 . . . . 0.0 110.932 179.143 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -134.96 154.08 51.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.372 177.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 2.8 m-85 -72.47 101.56 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.004 174.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 20.4 tptm -102.44 119.77 39.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.846 0.355 . . . . 0.0 110.646 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.431 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 65.7 t-105 -69.39 132.73 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 p -116.28 -72.54 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.76 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -136.11 156.8 48.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -67.19 -22.64 65.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.884 0.373 . . . . 0.0 110.566 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.85 -41.69 64.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -91.26 -24.66 19.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.16 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.75 -124.4 6.49 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.483 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.6 p-90 -101.57 145.7 28.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -131.37 123.89 19.86 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.095 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.86 125.57 13.92 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.451 2.101 . . . . 0.0 111.94 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 18' ' ' ARG . 8.8 mmt180 -124.36 151.37 44.45 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.072 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -93.79 119.85 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.072 0.463 . . . . 0.0 109.889 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.3 m-85 -117.77 150.4 39.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.706 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.639 HG12 ' HB3' ' A' ' 2' ' ' GLU . 34.2 m -133.45 134.43 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.918 0.39 . . . . 0.0 110.328 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -104.52 119.66 39.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.89 115.81 7.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 54.46 40.83 32.1 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.46 174.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.4 3.73 86.58 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.145 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -113.2 129.96 67.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.339 -0.506 . . . . 0.0 110.575 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 22' ' ' LEU . 2.4 tm? -107.2 110.62 22.73 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -109.95 145.22 37.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.327 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -111.25 138.28 47.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.339 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 36' ' ' VAL . 97.0 m-85 -129.1 178.1 6.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.98 -38.53 32.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.344 0.592 . . . . 0.0 110.001 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.5 p -169.75 -174.5 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.871 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.1 -39.22 94.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.54 -36.64 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.243 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.8 -19.5 60.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.581 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.558 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 92.5 t -64.13 -40.61 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.777 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.9 t -64.37 -25.89 68.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.45 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -76.96 -58.73 3.12 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.058 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.98 127.01 3.3 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.256 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.5 m -64.58 143.21 58.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.117 0.484 . . . . 0.0 111.225 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 7.5 mptt -85.97 -6.13 59.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.45 0.643 . . . . 0.0 109.803 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.29 142.97 10.14 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.576 176.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 m -142.02 166.15 25.5 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.225 0.512 . . . . 0.0 110.274 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.72 120.11 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 110.223 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.19 117.23 21.55 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.165 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.644 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.8 mtp -65.23 -30.24 71.11 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.651 0.262 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.893 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -69.69 -10.21 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.814 HG13 HD13 ' A' ' 65' ' ' ILE . 7.3 p -125.36 0.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 109.913 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.739 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.1 t -130.82 123.81 29.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.146 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.583 ' HB2' HG23 ' A' ' 64' ' ' ILE . 36.1 mt-10 -87.71 140.44 29.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.398 0.618 . . . . 0.0 110.588 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.703 HG23 ' HB2' ' A' ' 92' ' ' LYS . 2.0 tp -99.78 121.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 171.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HE3' HG21 ' A' ' 64' ' ' ILE . 21.5 mmtp -84.23 108.81 17.32 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -172.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.622 HG23 HG13 ' A' ' 51' ' ' ILE . 55.2 t -126.56 119.36 53.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.364 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -129.38 120.29 25.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.812 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m 56.25 -160.85 0.2 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.956 0.785 . . . . 0.0 111.552 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HA ' HH12 ' A' ' 81' ' ' ARG . . . -115.06 63.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.915 177.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . 14.7 m-20 -81.68 -162.38 0.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.738 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG3' ' A' ' 81' ' ' ARG . 64.3 m-20 -82.45 -156.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.945 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' HG2' ' A' ' 74' ' ' LYS . 38.9 p -68.45 102.89 1.52 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.939 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HD2' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -166.48 94.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.775 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.566 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.7 mpp? -136.29 148.06 47.79 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.967 0.413 . . . . 0.0 110.597 176.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.51 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.2 tt0 -120.27 142.77 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.413 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.49 122.23 46.61 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.842 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -125.26 115.1 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.459 0.647 . . . . 0.0 111.199 -176.696 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.814 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.12 116.55 18.89 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.662 178.667 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.662 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.8 Cg_exo -54.02 123.14 12.76 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.345 2.696 . . . . 0.0 113.171 -173.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.98 -54.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -99.8 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 43.92 -154.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.9 t60 69.85 39.76 1.4 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.756 0.789 . . . . 0.0 109.329 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -115.22 112.15 22.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -108.54 134.3 51.5 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.629 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 87.3 mtp -131.23 135.96 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 17.2 ttpp -135.64 126.49 27.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.5 178.6 6.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.583 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.758 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.9 t -63.44 -60.91 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.621 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 80' ' ' GLU . 8.7 p30 -138.77 171.22 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.08 -40.13 22.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -174.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.88 97.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.054 0.454 . . . . 0.0 111.324 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.758 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 57.1 mm-40 -63.23 -36.33 83.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.615 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HG2' ' SD ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -57.28 -41.8 80.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.769 174.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.488 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.9 tp60 -67.82 -33.53 74.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.844 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.1 -44.78 95.91 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.307 0.575 . . . . 0.0 110.777 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.53 ' HB3' HD12 ' A' ' 88' ' ' LEU . 91.2 m95 -68.37 -35.52 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.1 mp -61.82 -32.16 72.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.494 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.5 t -63.28 -51.41 71.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.625 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.42 -50.43 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.557 -0.457 . . . . 0.0 112.078 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 84' ' ' TRP . 29.1 mt -72.96 -43.04 62.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.601 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.23 -30.17 73.2 Favored Glycine 0 C--O 1.234 0.147 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.733 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.2 t -57.57 -42.63 83.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.436 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 35.8 t -69.71 -33.12 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.901 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.703 ' HB2' HG23 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -66.08 -33.44 75.8 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-O 121.431 0.634 . . . . 0.0 110.402 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.72 97.84 6.75 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.094 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.0 t 68.23 65.41 0.34 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.55 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.893 HD11 ' HA ' ' A' ' 47' ' ' ALA . 20.5 tp -90.61 167.54 12.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.201 -179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 p -75.33 164.93 25.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.845 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 t0 68.34 172.32 0.28 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.73 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.6 p -80.22 88.42 5.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.556 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.517 ' HD2' ' HB3' ' A' ' 95' ' ' LEU . 61.3 mtp180 -58.93 143.62 47.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.246 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.822 -177.296 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.954 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.72 148.48 87.74 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.956 2.437 . . . . 0.0 111.782 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 54.2 tp -69.65 105.97 2.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.121 0.486 . . . . 0.0 110.994 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 83.95 -80.95 1.78 Allowed Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.675 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.627 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 56.4 m -160.3 -52.77 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 122.623 0.369 . . . . 0.0 111.132 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.627 ' HD3' ' HB2' ' A' ' -3' ' ' SER . 35.2 Cg_exo -61.53 111.28 1.11 Allowed 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.001 1.801 . . . . 0.0 111.846 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.02 80.07 9.41 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.078 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -103.84 123.06 46.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.351 0.596 . . . . 0.0 110.989 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.95 144.55 35.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.883 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.3 153.17 35.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.649 0.262 . . . . 0.0 110.661 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.66 -161.27 33.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.885 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 17' ' ' PRO . 2.2 t -121.46 133.95 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.707 0.289 . . . . 0.0 110.964 -174.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.4 mm? -120.49 152.61 37.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.686 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.6 m-85 -71.8 99.04 2.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.457 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -98.76 115.73 29.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.132 0.491 . . . . 0.0 110.046 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -71.63 135.18 46.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.014 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 p -112.53 -85.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.17 176.97 7.93 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -75.34 -32.1 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.508 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.75 -40.9 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 111.396 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.6 p -85.75 -25.35 26.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.748 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.43 -126.75 7.76 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.383 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.667 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.5 p-90 -108.49 148.82 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -130.86 125.93 21.53 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.776 ' HB2' HG11 ' A' ' 4' ' ' VAL . 91.5 Cg_endo -72.64 99.15 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.026 1.818 . . . . 0.0 111.51 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -90.35 152.79 20.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.736 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -93.63 116.91 29.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CD1' HD23 ' A' ' 5' ' ' LEU . 89.0 m-85 -111.69 149.3 31.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.23 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' HD22 ' A' ' 27' ' ' LEU . 34.4 m -134.16 135.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.521 176.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -103.75 121.3 42.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -145.42 110.06 5.05 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.403 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.32 52.42 11.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.567 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.24 3.59 76.78 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.525 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -115.58 132.43 65.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 122.411 -0.464 . . . . 0.0 110.585 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 22' ' ' LEU . 2.9 tm? -110.82 110.83 21.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 m -110.34 148.64 31.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.84 0.352 . . . . 0.0 110.98 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -115.27 136.0 53.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.488 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.6 m-85 -130.68 166.82 19.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.567 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.25 -38.62 75.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 66.8 m -165.79 -176.24 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -64.4 -36.64 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.098 0.408 . . . . 0.0 110.495 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.13 -33.03 71.58 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 110.958 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.512 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 34.4 t70 -78.19 -15.51 58.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.623 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.488 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 71.1 t -63.12 -35.65 72.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.42 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.46 -21.13 64.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.681 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 27.6 mmtm -71.04 -30.59 66.81 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.99 107.27 0.12 Allowed Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.577 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.2 p -72.07 134.39 45.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.764 0.316 . . . . 0.0 110.719 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 8.2 mptt -83.46 -18.71 37.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.533 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.51 97.68 0.81 Allowed Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.844 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.9 m -109.9 166.83 10.63 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.0 mt -111.12 122.37 65.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 110.485 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -81.12 115.49 20.58 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.641 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.533 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.5 mtp -65.29 -28.43 69.32 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.893 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -70.68 -10.55 59.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.85 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.39 0.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.594 0.712 . . . . 0.0 109.975 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.697 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -126.79 130.46 50.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.646 -175.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.673 ' HB2' HG23 ' A' ' 64' ' ' ILE . 39.5 mt-10 -88.37 134.31 33.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.17 0.509 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.595 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -99.11 118.95 46.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 168.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 11.5 mmmm -83.69 106.86 15.74 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.67 0.748 . . . . 0.0 109.72 -170.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.595 HG23 HG13 ' A' ' 51' ' ' ILE . 77.7 t -137.54 108.28 5.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.321 -1.308 . . . . 0.0 108.741 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -141.46 45.94 1.72 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.196 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.9 m 53.46 56.95 6.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.84 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.96 -168.73 2.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.616 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' HB2' ' HG3' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -71.58 -166.25 0.19 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.379 0.609 . . . . 0.0 111.093 -177.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.93 127.32 32.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.549 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.6 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.6 p 52.8 55.66 8.68 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.706 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG3' ' HB2' ' A' ' 57' ' ' ASP . 12.2 mmm180 -124.34 97.06 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.579 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.483 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -140.49 149.59 42.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.773 178.49 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 21.3 tt0 -131.43 140.05 49.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.996 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.64 120.76 43.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.73 ' HA ' ' HG3' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -124.84 115.07 43.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.743 0.782 . . . . 0.0 111.325 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.85 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -125.76 118.28 24.3 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.096 177.204 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.748 ' HD2' HD12 ' A' ' 65' ' ' ILE . 76.3 Cg_exo -51.71 125.92 18.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.099 2.532 . . . . 0.0 113.068 -174.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.85 -46.48 1.22 Allowed Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.07 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HB2' ' H ' ' A' ' 69' ' ' GLN . 26.0 mt-10 -100.88 -89.31 0.35 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.622 0.248 . . . . 0.0 110.613 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.73 ' HG3' ' HA ' ' A' ' 64' ' ' ILE . 1.5 tt0 56.65 -145.33 0.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.264 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.636 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 14.3 t-160 61.59 34.16 17.9 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.49 0.716 . . . . 0.0 109.9 -172.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.93 112.05 23.25 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.434 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -110.37 138.48 46.7 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.8 mtt -122.45 137.56 54.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.362 0.601 . . . . 0.0 111.755 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.686 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 56.9 tttm -139.73 126.55 20.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 168.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -84.55 -177.95 6.75 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.204 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.898 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.4 t -62.15 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.19 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.436 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 32.4 p30 -136.94 172.77 12.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.331 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -45.44 -43.44 11.38 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.12 95.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.958 0.409 . . . . 0.0 111.089 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.898 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 14.0 mm-40 -61.53 -40.34 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.467 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.6 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 25.3 ttp180 -57.67 -42.92 84.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.625 175.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.8 tp60 -64.51 -35.16 80.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.134 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -64.4 -44.84 90.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.542 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.3 m95 -67.14 -37.5 83.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.265 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 81' ' ' ARG . 4.6 mp -60.59 -33.15 72.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.419 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.6 t -64.09 -51.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.054 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -49.9 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.078 0.466 . . . . 0.0 111.676 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' A' ' 51' ' ' ILE . 28.4 mt -72.78 -44.16 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.636 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.7 86.29 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.751 -174.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.2 t -64.59 -27.68 69.11 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 14.1 t -69.85 -42.83 73.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.133 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -60.89 -30.87 70.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.317 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.45 101.7 0.35 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.296 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.8 m 60.9 41.74 13.93 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.797 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.905 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 50.1 tp -69.7 154.18 42.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.88 176.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 p -73.67 164.68 26.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -176.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t70 71.54 175.39 0.29 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.913 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.0 p -77.65 93.7 4.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.607 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.905 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 38.3 mtm180 -88.31 168.11 12.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.144 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.789 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.72 110.68 1.33 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.989 2.459 . . . . 0.0 112.29 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.9 127.71 33.07 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.98 -57.65 4.83 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.084 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 24.3 m -74.33 143.16 79.38 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 2.9 Cg_exo -75.27 40.77 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.493 2.796 . . . . 0.0 113.444 -174.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 47.11 60.64 3.3 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.597 0.713 . . . . 0.0 111.503 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 35.1 t80 -126.21 133.16 51.6 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.605 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.3 tpt -137.21 139.9 41.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.879 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -139.96 147.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.498 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.65 -178.88 28.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.49 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -106.38 156.52 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 117.259 0.53 . . . . 0.0 110.486 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -133.92 158.37 43.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.178 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.45 124.08 23.33 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.304 173.384 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -119.49 116.57 26.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -70.97 122.68 20.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -103.63 -79.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.914 0.387 . . . . 0.0 110.99 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.41 162.87 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -65.25 -26.85 68.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.596 0.236 . . . . 0.0 111.242 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.48 -41.97 62.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.597 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -86.01 -28.02 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.841 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.75 -86.8 1.51 Allowed Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.8 p-90 -152.99 154.19 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.612 0.244 . . . . 0.0 110.353 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 mm-40 -131.8 123.44 19.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.381 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 30.4 Cg_endo -63.03 114.98 2.68 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.722 2.281 . . . . 0.0 112.093 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -110.9 154.29 24.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.825 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -94.05 122.43 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.3 147.59 44.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.139 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.24 136.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 27' ' ' LEU . 2.7 tm? -101.98 119.96 39.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -139.9 108.19 5.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 52.12 60.91 3.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.643 173.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.82 -5.36 48.07 Favored Glycine 0 N--CA 1.454 -0.122 0 CA-C-N 116.164 -0.471 . . . . 0.0 113.876 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mm -111.64 133.15 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.961 0.41 . . . . 0.0 110.677 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -108.69 111.02 22.59 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -107.44 146.16 32.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.841 0.353 . . . . 0.0 110.979 -176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -115.0 135.55 54.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.674 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -130.77 161.28 32.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.743 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.73 -25.61 37.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.651 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 t -160.24 -174.07 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.636 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -73.58 -48.06 35.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.824 0.345 . . . . 0.0 110.75 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.17 -23.99 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.391 0.615 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.534 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 34.0 t70 -66.31 -21.59 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.676 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.69 -34.74 63.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.867 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.0 m -73.84 -21.65 60.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -176.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 46.4 mmtt -65.66 -46.63 78.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.173 0.511 . . . . 0.0 110.856 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.58 114.57 3.85 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.43 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 p -87.46 138.19 31.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.432 . . . . 0.0 110.968 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -90.98 -24.85 19.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.536 0.684 . . . . 0.0 109.531 174.703 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.87 130.9 10.38 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.25 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -151.36 173.52 14.42 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.7 120.61 61.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.441 0.639 . . . . 0.0 110.372 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -83.0 108.7 16.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.641 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.4 ' O ' HD21 ' A' ' 95' ' ' LEU . 90.3 mmm -63.63 -27.59 69.34 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -178.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.648 ' HA ' HD21 ' A' ' 95' ' ' LEU . . . -65.88 -15.58 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.846 HG13 HD13 ' A' ' 65' ' ' ILE . 8.0 p -124.95 1.29 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.139 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.693 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.3 t -126.88 127.69 45.33 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.405 -176.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.717 ' HB2' HG23 ' A' ' 64' ' ' ILE . 27.7 mt-10 -88.41 137.32 32.43 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.499 0.666 . . . . 0.0 111.252 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.631 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -98.86 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.768 ' HE2' HG21 ' A' ' 64' ' ' ILE . 31.2 mmtt -84.05 108.34 16.94 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.424 0.631 . . . . 0.0 110.143 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.631 HG23 HG13 ' A' ' 51' ' ' ILE . 87.6 t -135.18 130.06 51.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.173 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -168.99 -41.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.399 . . . . 0.0 110.476 -175.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.41 ' O ' ' HD2' ' A' ' 60' ' ' ARG . 22.0 t -110.49 145.2 38.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.976 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.16 55.61 0.8 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.942 0.401 . . . . 0.0 111.669 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.986 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 9.5 m-20 -84.58 175.3 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -73.27 107.63 5.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.633 ' HB ' ' HG3' ' A' ' 74' ' ' LYS . 72.6 p 52.08 78.8 0.12 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.648 0.779 . . . . 0.0 112.765 175.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.986 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -145.31 97.4 2.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 111.455 -178.14 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.616 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.2 mpp? -140.84 156.35 46.15 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.152 -0.342 . . . . 0.0 110.344 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -134.23 137.92 44.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.322 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.6 mm? -108.38 120.93 43.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.768 HG21 ' HE2' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -122.93 116.01 47.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.485 0.659 . . . . 0.0 110.976 -177.769 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.846 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.7 119.2 14.87 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.883 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.617 ' HD2' HD12 ' A' ' 65' ' ' ILE . 31.6 Cg_exo -59.59 110.77 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.618 2.212 . . . . 0.0 111.927 -179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.95 -62.52 0.6 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -99.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.509 ' H ' HG23 ' A' ' 65' ' ' ILE . 22.6 pt20 47.61 -165.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.438 1.095 . . . . 0.0 112.969 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 65.55 36.69 6.42 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.872 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 85.5 m-85 -103.37 111.68 24.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.646 175.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.469 ' CD1' ' HE2' ' A' ' 6' ' ' TYR . 10.6 t80 -99.11 139.26 35.01 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.532 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 0.3 OUTLIER -120.2 135.43 54.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -175.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 83.7 tttt -147.54 120.84 8.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -81.5 -174.92 5.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.325 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.959 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 78.4 t -63.35 -57.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.489 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.456 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.0 p30 -142.63 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.167 177.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.02 -43.78 14.67 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.25 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.033 0.444 . . . . 0.0 111.201 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.959 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 7.5 mm-40 -61.37 -38.81 88.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.287 176.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.584 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.1 ttp180 -57.64 -41.23 80.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.787 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' VAL . 28.9 tp60 -65.17 -34.52 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 69.2 mtt180 -67.67 -43.83 79.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 111.306 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.515 ' CE2' HD21 ' A' ' 5' ' ' LEU . 95.2 m95 -67.21 -34.84 78.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 109.975 174.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 81' ' ' ARG . 4.8 mp -60.87 -33.21 72.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.624 175.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.7 t -64.97 -51.79 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.229 176.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.6 -50.75 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.978 0.418 . . . . 0.0 111.766 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 84' ' ' TRP . 26.8 mt -74.96 -45.38 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.161 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.55 84.59 Favored Glycine 0 C--O 1.233 0.08 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.266 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 p -67.32 -25.53 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 110.45 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 35.1 t -67.22 -38.39 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.107 176.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -68.11 -29.32 68.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.848 0.356 . . . . 0.0 111.04 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.53 88.45 2.14 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t 69.69 74.35 0.23 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.171 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.875 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 15.3 tp -103.76 -171.83 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.949 -178.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.662 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -60.12 173.4 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.252 0.549 . . . . 0.0 112.294 178.838 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -68.83 179.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.81 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.3 p 51.48 51.56 16.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.204 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.875 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 45.1 mtm180 -93.63 143.19 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.814 175.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.246 0.886 0 O-C-N 123.807 0.692 . . . . 0.0 110.672 -177.756 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -7' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.527 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 15.8 Cg_exo -68.8 99.56 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 123.101 2.534 . . . . 0.0 111.905 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -130.67 113.42 14.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.122 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 81.22 -61.66 4.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.158 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 49.1 m -65.82 144.42 98.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 122.49 0.316 . . . . 0.0 111.072 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.43 130.01 33.8 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.061 2.507 . . . . 0.0 112.237 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.527 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 0.1 OUTLIER -79.87 105.81 11.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.84 -177.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -125.77 122.13 35.32 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.045 0.45 . . . . 0.0 110.349 173.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.11 137.58 34.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -148.66 151.45 34.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.644 0.259 . . . . 0.0 110.694 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.12 -176.62 36.8 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.505 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.73 152.15 9.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 117.576 0.688 . . . . 0.0 110.23 179.543 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.62 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -132.06 157.97 42.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.695 ' HA ' ' CE3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -75.17 98.51 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.18 176.185 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 18.0 tptm -98.51 116.71 31.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.03 0.443 . . . . 0.0 110.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.446 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 46.8 t-105 -64.88 124.33 21.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.471 173.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -108.15 -73.03 0.7 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -134.31 161.56 34.63 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -66.48 -23.83 66.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.94 -41.66 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.227 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -90.36 -25.73 20.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.748 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.9 -91.42 1.5 Allowed Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.695 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.7 p-90 -136.56 151.86 49.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.776 0.322 . . . . 0.0 110.391 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -131.35 123.39 19.56 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.365 174.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.41 95.72 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.3 tpp180 -108.27 160.46 15.83 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -93.36 124.41 37.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 -171.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 80.4 m-85 -121.12 148.2 44.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.672 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG22 ' HE1' ' A' ' 30' ' ' TYR . 29.6 m -136.02 138.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 27' ' ' LEU . 1.1 tm? -102.04 120.56 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -136.19 107.98 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.406 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 52.72 46.63 26.36 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.038 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.92 -1.76 86.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.125 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.19 128.2 70.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 122.42 -0.459 . . . . 0.0 110.389 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -100.78 110.46 22.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.7 m -111.9 139.76 47.11 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.687 -175.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 33.0 p90 -107.59 138.95 42.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.632 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 90.1 m-85 -128.35 164.73 22.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.775 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.525 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 22.4 t70 -70.86 -36.71 72.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.214 0.531 . . . . 0.0 110.086 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.488 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 22.7 t -153.71 -175.07 5.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.786 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -72.75 -40.58 65.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.838 0.352 . . . . 0.0 110.289 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.67 -27.34 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.418 0.628 . . . . 0.0 110.76 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.6 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 37.4 t70 -68.32 -20.72 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.645 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.632 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 99.2 t -58.57 -38.0 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.76 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.49 -21.54 62.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.22 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.6 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 25.3 mmtt -76.87 -19.74 57.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.977 0.418 . . . . 0.0 111.048 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.68 119.29 1.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.102 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -74.06 136.52 43.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.007 0.432 . . . . 0.0 111.562 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.518 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 6.3 mptt -95.66 -1.72 49.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.513 0.673 . . . . 0.0 109.48 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.0 104.25 0.54 Allowed Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.689 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 m -128.09 152.61 47.77 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.23 122.26 65.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.321 0.582 . . . . 0.0 110.747 -175.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -81.09 115.6 20.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.404 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.4 mtp -65.12 -30.92 71.89 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 111.19 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.592 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -67.14 -10.27 48.46 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.904 HG13 HD13 ' A' ' 65' ' ' ILE . 9.8 p -125.87 2.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.701 0.762 . . . . 0.0 110.159 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.577 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.5 t -124.54 129.77 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.511 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.68 129.46 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.963 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.639 HG13 HG23 ' A' ' 53' ' ' VAL . 1.9 tp -98.41 115.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 170.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -85.35 107.52 17.39 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.921 -0.711 . . . . 0.0 109.431 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.639 HG23 HG13 ' A' ' 51' ' ' ILE . 78.9 t -137.98 108.25 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.304 -175.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -164.24 -75.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.953 0.406 . . . . 0.0 110.491 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 m -91.92 43.18 1.13 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.304 0.573 . . . . 0.0 110.738 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 1.023 ' HB1' ' HB2' ' A' ' 60' ' ' ARG . . . -147.54 95.69 2.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.285 -174.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.676 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 4.4 t70 -110.51 35.64 3.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 111.271 -175.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.68 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 51.8 t-20 -164.23 88.38 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.993 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.774 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 30.2 p 59.67 5.98 0.77 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.629 1.172 . . . . 0.0 114.017 173.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 1.023 ' HB2' ' HB1' ' A' ' 56' ' ' ALA . 66.4 mtp180 -96.36 106.65 18.91 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.857 -0.527 . . . . 0.0 110.899 -173.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.641 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 0.3 OUTLIER -142.71 148.66 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.241 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.8 141.58 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.539 0.209 . . . . 0.0 110.589 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 51' ' ' ILE . 4.5 mm? -113.96 121.37 43.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.73 116.04 46.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.503 0.668 . . . . 0.0 111.129 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.904 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.82 116.09 16.96 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 114.847 -1.07 . . . . 0.0 108.955 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.582 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.9 Cg_exo -54.29 116.65 3.21 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.073 2.516 . . . . 0.0 112.669 -176.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.24 -60.83 0.58 Allowed Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.324 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.62 -68.53 0.8 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.453 ' H ' HG23 ' A' ' 65' ' ' ILE . 13.7 pt20 46.73 -165.44 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.458 1.103 . . . . 0.0 113.736 172.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.1 t60 67.63 32.93 5.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.981 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -100.8 112.87 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.924 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -94.08 140.52 29.64 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.641 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 1.3 tpt -121.52 137.08 54.88 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.695 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 35.3 tttp -153.24 122.66 6.69 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.25 7.85 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.481 -177.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.482 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 66.4 t -56.57 -55.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.092 0.472 . . . . 0.0 110.772 -179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.478 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -140.38 174.01 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.263 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -53.29 -40.71 64.94 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -63.64 -43.64 96.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 177.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.482 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 50.7 mm-40 -62.72 -34.37 77.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.705 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.774 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -57.05 -42.49 80.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.717 172.568 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.6 tp60 -62.63 -33.82 75.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 -177.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.19 -45.79 86.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.185 0.516 . . . . 0.0 110.474 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.573 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -67.33 -36.01 80.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.036 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -61.45 -32.19 72.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.604 177.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.8 t -64.13 -51.76 64.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.994 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.79 21.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.107 0.48 . . . . 0.0 111.803 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 46' ' ' MET . 28.5 mt -72.2 -43.64 64.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.51 -29.71 75.9 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.425 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.8 t -60.74 -32.27 71.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.3 t -70.34 -38.44 74.87 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.442 176.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 51' ' ' ILE . 20.7 tttp -63.7 -22.13 66.74 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.75 98.48 1.54 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.776 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 p 49.69 75.2 0.17 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.651 0.739 . . . . 0.0 112.137 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.603 HD21 ' O ' ' A' ' 46' ' ' MET . 14.1 tp -93.27 145.88 24.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.025 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.6 p -76.19 162.43 27.97 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 67.01 -169.93 0.2 Allowed 'General case' 0 N--CA 1.473 0.683 0 O-C-N 124.28 0.988 . . . . 0.0 111.692 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.7 p -59.36 149.33 29.39 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.233 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -158.13 128.77 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.659 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.8 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.338 177.359 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -7' ' ' GLY . . . . . 0.448 ' HA2' ' HD3' ' A' ' -6' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.448 ' HD3' ' HA2' ' A' ' -7' ' ' GLY . 16.9 Cg_exo -71.09 152.51 62.47 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.408 2.739 . . . . 0.0 112.146 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -5' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' -5' ' ' LEU . 1.9 tm? -86.98 102.82 14.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -177.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -76.02 2.09 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.48 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.653 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 49.7 m -148.68 -44.92 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.653 ' HD2' ' H ' ' A' ' -3' ' ' SER . 75.7 Cg_exo -51.9 105.41 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.247 1.965 . . . . 0.0 113.423 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -111.93 71.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -126.06 132.71 51.89 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.249 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt -140.02 140.06 36.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.137 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.23 155.36 49.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.808 0.337 . . . . 0.0 110.599 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.12 29.63 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.472 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.6 159.62 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.119 0.46 . . . . 0.0 110.398 179.041 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.472 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -135.07 152.63 51.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.494 -0.775 . . . . 0.0 108.955 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.716 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.53 119.83 15.27 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 170.804 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -110.47 118.74 37.07 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.517 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -73.07 105.46 4.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -83.75 -75.04 0.35 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.095 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -142.17 158.59 43.56 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -67.14 -20.08 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.109 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.2 -40.55 64.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.024 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p -84.89 -44.77 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.14 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.41 -123.92 8.08 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.864 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.664 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -104.77 133.88 48.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 -178.574 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -131.0 124.32 20.51 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.05 129.78 14.61 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.496 2.131 . . . . 0.0 112.279 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 31.0 mmt180 -131.18 159.9 36.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.248 176.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -94.38 126.59 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 110.47 -173.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 94.9 m-85 -127.54 145.92 50.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.754 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG22 ' HE2' ' A' ' 30' ' ' TYR . 23.4 m -135.81 138.07 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.763 0.316 . . . . 0.0 110.471 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -101.84 120.06 39.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -138.61 110.52 7.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.627 0.727 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.31 56.64 6.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.124 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 3.87 59.36 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.609 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -114.64 129.51 70.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 122.385 -0.48 . . . . 0.0 110.16 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.459 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.12 108.61 20.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.3 p -108.84 147.97 31.3 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.765 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.457 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 13.2 p90 -118.59 141.08 48.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.344 -177.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 40' ' ' SER . 84.3 m-85 -128.57 169.98 13.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.362 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -76.62 -38.79 54.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.004 0.43 . . . . 0.0 110.46 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 49.2 m -150.74 -177.83 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.693 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.21 -48.13 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.178 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.66 -26.34 65.46 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.527 0.68 . . . . 0.0 111.291 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.516 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 34.9 t70 -69.16 -14.34 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.858 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.488 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 78.0 t -65.4 -35.53 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.3 m -72.12 -16.66 62.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.151 0.5 . . . . 0.0 111.155 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 21.1 mmtm -75.79 -22.17 56.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.162 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.36 122.82 3.11 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.719 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.506 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 3.0 p -76.78 134.73 39.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.234 0.54 . . . . 0.0 112.025 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 5.5 mptt -98.53 -27.38 14.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.302 174.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.72 123.4 6.57 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.955 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p -138.09 159.14 42.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.982 0.42 . . . . 0.0 110.858 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -112.93 120.72 63.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HG2' HG12 ' A' ' 48' ' ' VAL . 27.7 ttmt -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.575 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.7 mtp -64.67 -31.08 72.14 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.941 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.779 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.43 -13.78 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 65' ' ' ILE . 9.7 p -125.03 0.69 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.463 0.649 . . . . 0.0 110.236 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.77 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.9 t -129.25 124.5 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.3 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.577 ' HB2' HG23 ' A' ' 64' ' ' ILE . 44.9 mt-10 -88.05 134.54 33.72 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.074 0.464 . . . . 0.0 110.524 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.599 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -98.67 119.26 46.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HG3' ' OE1' ' A' ' 62' ' ' GLU . 4.8 mmmm -85.42 107.48 17.41 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.606 0.717 . . . . 0.0 110.057 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.599 HG23 HG13 ' A' ' 51' ' ' ILE . 98.5 t -135.62 108.02 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.673 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -135.75 -52.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.126 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -156.4 -171.38 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.648 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.457 ' HB1' ' HD3' ' A' ' 60' ' ' ARG . . . 67.23 91.61 0.09 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.896 0.748 . . . . 0.0 111.078 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.768 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 8.5 m-20 -79.35 71.53 5.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.506 0.67 . . . . 0.0 111.894 -176.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.662 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 21.6 t-20 -160.49 168.57 24.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.672 HG22 ' HB3' ' A' ' 75' ' ' ALA . 21.7 p -58.55 92.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -173.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 58' ' ' ASN . 6.8 ptm180 -163.43 98.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.528 . . . . 0.0 111.599 177.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.601 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.7 mpp? -135.16 151.51 50.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.5 tt0 -123.23 136.17 54.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.574 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.39 120.13 41.52 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.577 HG23 ' HB2' ' A' ' 50' ' ' GLU . 1.1 tp -122.49 115.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.605 0.717 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.903 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -132.7 119.57 16.15 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.825 -1.079 . . . . 0.0 108.798 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.698 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.0 Cg_exo -54.16 135.63 65.14 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.823 2.349 . . . . 0.0 112.63 -178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.72 -44.37 1.95 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.292 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.8 mt-10 -107.95 -74.39 0.66 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.588 ' H ' HG23 ' A' ' 65' ' ' ILE . 12.7 pt20 46.38 -158.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.368 1.067 . . . . 0.0 112.645 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 68.4 29.07 5.93 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.909 0.861 . . . . 0.0 109.804 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -107.55 110.52 22.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.282 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -111.43 143.5 42.16 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 mtt -121.97 136.99 54.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 111.41 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.716 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 16.1 ttpp -136.96 119.23 15.62 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.84 -174.84 3.22 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.683 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.686 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 58.8 t -62.76 -61.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.975 0.417 . . . . 0.0 109.984 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.455 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.2 p-10 -140.44 167.73 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.746 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 58' ' ' ASN . . . -48.33 -41.42 28.32 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.7 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.489 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.686 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 56.1 mm-40 -64.09 -36.22 83.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.768 ' NH1' ' HA ' ' A' ' 57' ' ' ASP . 5.3 ttp180 -57.24 -41.02 78.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.002 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.2 tp60 -63.08 -33.36 75.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.648 -177.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -63.88 -45.81 87.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.35 0.595 . . . . 0.0 110.188 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.544 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.8 m95 -67.52 -35.62 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.235 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -61.67 -33.19 73.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.24 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.9 t -63.05 -51.12 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.971 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.74 18.57 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' A' ' 84' ' ' TRP . 35.8 mt -72.27 -43.43 64.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.677 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.48 -29.05 65.82 Favored Glycine 0 C--N 1.329 0.15 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.174 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -55.77 -40.55 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.947 0.403 . . . . 0.0 110.477 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 33.3 t -70.22 -44.12 69.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.054 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -57.92 -39.04 77.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.289 0.566 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.03 93.16 1.74 Allowed 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.546 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.7 m 71.36 88.01 0.11 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.753 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 47' ' ' ALA . 22.9 tp -120.68 158.98 26.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.855 -178.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.4 p -70.9 154.37 41.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -175.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t70 66.22 -179.78 0.2 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.619 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -83.29 110.6 18.24 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -69.9 161.95 28.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.45 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.875 -175.956 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -64.65 145.23 86.52 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.843 2.362 . . . . 0.0 111.704 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.32 100.25 10.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.397 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 83.68 -66.14 3.98 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.643 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.504 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 20.7 t -161.46 -49.38 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.197 0.444 . . . . 0.0 112.197 -175.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' -3' ' ' SER . 53.2 Cg_exo -55.61 105.45 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 C-N-CA 122.315 2.01 . . . . 0.0 113.516 -177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -106.97 70.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.477 0.656 . . . . 0.0 109.484 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -126.1 128.09 46.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.139 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -135.19 140.67 45.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.128 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.24 150.85 45.98 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.106 0.254 . . . . 0.0 110.486 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.47 -163.59 29.96 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG12 ' CE3' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -121.82 160.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.259 0.529 . . . . 0.0 110.358 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -132.46 154.56 49.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.625 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -66.09 119.38 11.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.101 172.469 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -114.28 116.57 29.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.698 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -75.86 124.86 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -109.88 -72.96 0.7 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -142.37 160.54 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -69.57 -19.92 63.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.751 0.31 . . . . 0.0 110.865 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.28 -41.36 63.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -87.26 -33.28 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.607 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.79 -104.17 3.11 Favored Glycine 0 N--CA 1.441 -1.012 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.309 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 6' ' ' TYR . 8.2 p-90 -136.61 150.04 48.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 87.4 mt-30 -130.72 122.61 19.7 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 36.8 Cg_endo -66.25 108.34 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.575 2.183 . . . . 0.0 111.688 173.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.544 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 1.1 tpm_? -106.93 154.04 21.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.418 ' CE3' HG12 ' A' ' 4' ' ' VAL . 51.9 t-105 -94.0 131.96 38.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.042 0.448 . . . . 0.0 110.455 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.94 143.22 50.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.982 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.27 135.93 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.477 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 HD23 ' A' ' 27' ' ' LEU . 3.0 tm? -102.21 120.21 40.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.04 107.05 8.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.676 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 47.24 62.23 2.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 173.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 81.61 -7.81 60.84 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.133 -0.556 . . . . 0.0 114.403 176.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -117.14 132.16 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 118.088 0.944 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.516 HD23 HD23 ' A' ' 22' ' ' LEU . 3.3 tm? -107.49 110.93 22.98 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -107.53 148.57 29.06 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.985 -0.447 . . . . 0.0 111.153 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -121.55 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.986 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 95.8 m-85 -142.87 177.44 8.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.762 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.93 -39.13 51.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 111.218 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.526 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 6.0 p -157.3 -176.2 5.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -174.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -63.36 -51.38 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.589 -176.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 29.4 t70 -67.71 -27.94 67.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.264 0.554 . . . . 0.0 110.738 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.526 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.2 t70 -71.86 -6.3 40.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.129 -176.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.541 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 53.8 t -61.49 -39.01 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.117 0.484 . . . . 0.0 111.004 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.13 -26.5 21.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.948 0.404 . . . . 0.0 110.468 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 16.5 mmtm -88.5 -30.42 19.38 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -172.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.8 -131.54 2.34 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.999 -0.62 . . . . 0.0 114.632 -166.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.7 p -96.24 124.05 40.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -169.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HD2' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -89.7 5.21 46.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.732 -176.764 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.04 -55.12 29.68 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.801 176.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 m 64.92 170.87 0.2 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 121.54 0.686 . . . . 0.0 112.13 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.2 mt -113.01 120.22 62.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.012 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.608 ' HB3' HG12 ' A' ' 48' ' ' VAL . 80.4 tttt -82.92 106.67 14.94 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.643 ' O ' HD21 ' A' ' 95' ' ' LEU . 95.2 mmm -62.6 -26.87 68.82 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 120.903 0.382 . . . . 0.0 111.854 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -76.48 -8.77 57.87 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.824 HG13 HD13 ' A' ' 65' ' ' ILE . 6.8 p -124.97 2.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.707 0.765 . . . . 0.0 109.633 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.781 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -132.08 118.83 20.16 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.747 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.607 ' HG2' ' HB2' ' A' ' 99' ' ' ARG . 23.5 mp0 -85.93 137.15 32.95 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.471 0.653 . . . . 0.0 110.686 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.659 HD11 ' HB3' ' A' ' 61' ' ' MET . 1.4 tp -98.04 118.55 44.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -83.99 108.39 16.93 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.457 0.646 . . . . 0.0 109.41 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 51' ' ' ILE . 71.7 t -123.07 108.49 21.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.514 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 22.0 t-80 -81.92 -87.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.268 -175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.1 p 174.88 119.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 122.439 0.296 . . . . 0.0 111.051 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.49 32.61 21.07 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' A' ' 54' ' ' HIS . 1.9 m-20 -89.11 150.44 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.83 0.348 . . . . 0.0 110.204 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 3.1 m-20 -89.12 102.13 14.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.53 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 20.8 p 50.34 51.29 17.07 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.435 0.694 . . . . 0.0 112.543 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 58' ' ' ASN . 39.3 mmt180 -124.46 101.16 7.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.627 -177.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.799 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.2 mpp? -140.31 147.32 39.72 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.42 132.47 51.49 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.902 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.0 119.38 38.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.85 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -123.17 114.95 44.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -178.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.824 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -122.16 110.93 32.43 Favored Pre-proline 0 N--CA 1.443 -0.798 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' A' ' 65' ' ' ILE . 46.3 Cg_exo -55.86 112.18 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.576 2.851 . . . . 0.0 113.043 -171.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.15 -64.77 0.6 Allowed Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.425 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 31.9 mt-10 -95.2 -58.34 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 10.1 pt20 43.91 -150.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.041 0.838 . . . . 0.0 112.8 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 73.98 36.36 0.71 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.661 0.743 . . . . 0.0 110.244 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -117.84 111.74 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.865 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.445 ' HD2' ' HE1' ' A' ' 6' ' ' TYR . 62.8 t80 -111.16 143.05 42.52 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.491 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 31.7 mtt -121.47 136.48 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.619 0.723 . . . . 0.0 111.527 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 71.1 tttt -142.43 120.69 12.27 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 171.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.99 179.05 8.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.009 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.601 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 95.4 t -57.05 -56.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.852 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.0 p-10 -143.58 166.08 25.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.362 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.98 -41.64 25.79 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.226 0.329 . . . . 0.0 111.879 -173.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.451 ' HB3' ' ND2' ' A' ' 77' ' ' ASN . . . -61.27 -43.02 99.56 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.013 0.435 . . . . 0.0 111.779 176.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.601 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 35.5 mm-40 -63.0 -32.25 73.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.799 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 25.5 ttt180 -57.92 -40.3 80.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.857 173.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.0 tp60 -61.66 -35.55 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.875 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -61.48 -46.25 90.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.794 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.497 ' HB3' HD12 ' A' ' 88' ' ' LEU . 97.0 m95 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.106 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.8 mp -62.56 -32.16 73.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.511 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.3 t -63.42 -51.3 72.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.676 176.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.53 15.59 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.885 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.2 mt -73.33 -39.61 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.905 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.4 77.43 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 121.306 -0.474 . . . . 0.0 112.593 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 m -61.52 -36.55 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.192 0.52 . . . . 0.0 109.834 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 28.8 t -69.46 -43.38 73.38 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.6 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.55 ' HB2' HG23 ' A' ' 51' ' ' ILE . 14.6 tttm -64.24 -37.43 87.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.12 104.41 2.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.805 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 m 73.71 39.43 0.55 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.166 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.757 ' HG ' ' H ' ' A' ' 96' ' ' THR . 10.9 tp -83.34 -157.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.371 175.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.757 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -55.99 155.14 6.61 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 123.363 0.665 . . . . 0.0 112.309 178.63 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.94 163.53 27.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.858 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.9 p 51.93 41.48 29.58 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.278 0.631 . . . . 0.0 111.035 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.607 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 20.5 ptt-85 -86.47 72.85 10.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.571 -173.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.405 -0.807 . . . . 0.0 110.01 178.412 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.232 0.155 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt -139.97 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.631 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.51 150.11 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.593 0.235 . . . . 0.0 110.452 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.0 -156.63 27.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.741 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.498 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.2 m -123.94 162.3 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 117.132 0.466 . . . . 0.0 110.623 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.54 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.6 mm? -136.47 154.0 50.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.533 176.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.703 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -70.43 125.51 26.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.887 171.259 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -122.4 123.8 42.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.07 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -73.27 132.34 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.116 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 p -116.6 -71.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -145.84 164.12 32.92 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -70.0 -27.68 64.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.642 0.258 . . . . 0.0 111.061 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.55 -41.7 65.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -83.08 -28.84 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.216 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.55 -105.23 2.9 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.823 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.703 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 6.2 p-90 -132.23 144.98 51.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 65.2 mt-30 -131.14 122.87 19.43 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.559 0.219 . . . . 0.0 110.531 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 39.5 Cg_endo -67.56 130.6 22.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.499 2.132 . . . . 0.0 111.781 174.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -126.21 154.77 42.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -92.94 129.14 38.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.142 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 29' ' ' TYR . 97.7 m-85 -132.56 141.51 48.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -133.0 137.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 HD23 ' A' ' 27' ' ' LEU . 3.2 tm? -102.72 118.67 37.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -147.8 133.17 18.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 59.47 28.23 17.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.598 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 83.47 7.0 87.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -116.64 135.27 57.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.478 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.7 109.19 21.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 p -108.81 148.87 29.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.076 0.465 . . . . 0.0 111.506 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 34.0 p90 -115.55 143.14 45.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.669 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.617 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 87.2 m-85 -136.86 164.44 28.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.781 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.46 -37.17 63.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.239 0.542 . . . . 0.0 110.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.511 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 74.5 m -158.88 179.68 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.769 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -65.04 -44.78 87.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.951 0.405 . . . . 0.0 110.687 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.29 -33.37 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.533 . . . . 0.0 110.897 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HB3' ' H ' ' A' ' 32' ' ' SER . 35.3 t70 -68.07 -24.62 65.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.921 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.617 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 72.1 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.293 0.568 . . . . 0.0 110.548 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.878 0.371 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.19 119.75 60.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.499 ' O ' HG12 ' A' ' 48' ' ' VAL . 76.8 tttt -86.35 95.38 9.63 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.727 -174.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.516 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 94.9 mmm -54.28 -33.4 58.55 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.22 -10.78 45.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.704 HG13 HD13 ' A' ' 65' ' ' ILE . 5.9 p -125.16 -0.95 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.406 0.622 . . . . 0.0 110.118 176.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.95 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 34.7 m -120.6 132.51 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.751 ' HB2' HG23 ' A' ' 64' ' ' ILE . 34.6 mt-10 -89.53 131.11 35.72 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.397 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -98.27 115.11 37.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.3 mmmt -85.34 108.32 17.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.319 0.58 . . . . 0.0 110.001 -170.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 51' ' ' ILE . 70.2 t . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.352 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.564 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.497 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -93.65 114.96 27.39 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -167.179 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.489 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.6 mpp? -134.81 156.48 48.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 175.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -126.7 138.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 122.363 -0.211 . . . . 0.0 110.965 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -113.23 121.77 45.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 109.905 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.751 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -126.16 116.6 46.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.391 0.615 . . . . 0.0 111.137 -179.137 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.95 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.66 114.31 24.99 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.516 177.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 65' ' ' ILE . 42.5 Cg_exo -56.32 112.97 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.961 2.441 . . . . 0.0 112.968 -171.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.92 -57.35 0.69 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.64 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 33.8 mt-10 -97.06 -69.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 8.9 pt20 48.77 -162.7 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 168.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.5 37.79 5.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -103.81 112.21 25.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.276 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.447 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 18.1 t80 -104.25 128.64 52.02 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.54 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 90.2 mtp -121.53 136.79 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 109.962 -177.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 36.6 ttmt -143.36 124.17 14.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.046 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.21 -178.83 7.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.629 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.736 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.4 t -61.17 -58.98 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.458 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 31.6 p30 -137.74 174.14 10.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.149 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.96 -37.3 63.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.367 . . . . 0.0 111.429 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.87 83.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.674 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.736 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 23.1 mm-40 -60.68 -40.19 91.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.416 0.627 . . . . 0.0 110.106 175.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.564 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -57.93 -38.48 76.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.6 175.025 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 86' ' ' VAL . 55.3 tp60 -64.58 -34.22 77.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.56 -45.27 94.85 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.476 0.655 . . . . 0.0 110.015 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.501 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -66.18 -38.2 87.45 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.353 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 2.8 mp -62.89 -32.13 73.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.049 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 82' ' ' GLN . 45.7 t -62.19 -51.35 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.73 19.18 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 112.163 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 84' ' ' TRP . 40.0 mt -74.37 -44.82 50.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.288 -175.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.86 -31.27 80.22 Favored Glycine 0 CA--C 1.512 -0.128 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.863 -173.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 t -66.7 -28.75 68.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 109.79 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -69.86 -42.11 73.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.014 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HB2' HG23 ' A' ' 51' ' ' ILE . 18.3 ttpt -56.88 -46.0 82.14 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.036 0.446 . . . . 0.0 111.574 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -175.536 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 16.3 tpt -139.65 138.24 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.148 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 162.67 32.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.78 0.324 . . . . 0.0 110.767 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.11 -175.49 23.91 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.498 HG12 ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -115.37 158.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 117.097 0.449 . . . . 0.0 110.163 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.8 mm? -130.12 145.3 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.872 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.69 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 1.4 t80 -62.06 124.06 19.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.386 171.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -124.8 117.38 24.01 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.882 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -75.97 125.81 29.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -109.63 -77.43 0.6 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.511 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -132.13 159.25 39.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -66.67 -21.72 66.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.0 -41.36 64.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 p -89.24 -28.97 19.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.556 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -109.19 3.36 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 3.7 p-90 -124.76 150.48 46.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 18.8 mm-40 -131.36 121.73 18.62 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 40.1 Cg_endo -67.44 106.0 1.16 Allowed 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.357 2.038 . . . . 0.0 111.527 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.762 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.4 tpm_? -106.73 151.3 25.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.498 ' CE3' HG12 ' A' ' 4' ' ' VAL . 42.8 t-105 -95.01 133.5 38.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.92 0.391 . . . . 0.0 110.366 -174.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD1' HD23 ' A' ' 5' ' ' LEU . 94.7 m-85 -132.65 149.26 52.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.007 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 28' ' ' SER . 24.3 m -133.21 135.39 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.66 HD23 HD23 ' A' ' 27' ' ' LEU . 1.8 tm? -103.99 118.55 36.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.2 131.64 15.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.667 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 59.71 38.67 21.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.222 0.534 . . . . 0.0 111.432 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 71.71 10.97 72.68 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.776 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.39 132.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.548 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 HD23 ' A' ' 22' ' ' LEU . 2.6 tm? -104.76 110.85 23.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 21' ' ' VAL . 15.2 m -106.3 136.72 45.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.683 0.278 . . . . 0.0 110.803 -172.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -106.55 135.53 47.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.537 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 82.2 m-85 -144.63 171.8 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 18' ' ' ARG . 3.8 t70 -73.22 -37.7 66.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.722 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.521 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 15.2 p -165.61 -174.51 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.509 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -69.96 -32.96 71.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.837 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.521 ' HB3' ' H ' ' A' ' 32' ' ' SER . 35.3 t70 -67.26 -16.64 64.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.878 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' CG ' ' A' ' 30' ' ' TYR . 76.6 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.273 0.559 . . . . 0.0 110.81 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.16 120.43 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.417 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' HG12 ' A' ' 48' ' ' VAL . 29.7 ttmt -78.03 116.03 18.21 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.334 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.577 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.1 mtp -65.58 -30.89 71.68 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 120.619 0.247 . . . . 0.0 111.117 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.38 -13.16 60.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.88 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.59 2.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.656 0.741 . . . . 0.0 110.21 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.67 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.4 t -129.43 125.19 35.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.404 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.0 mm-40 -88.27 133.65 34.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.318 0.58 . . . . 0.0 110.728 -178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.667 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.43 118.92 46.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.87 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -84.2 110.32 18.44 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.667 HG23 HG13 ' A' ' 51' ' ' ILE . 54.5 t . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.937 -172.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.79 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 14.8 p . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -110.45 121.05 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -167.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.66 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.3 mpp? -140.97 153.39 45.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 174.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -125.17 138.61 54.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.456 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.51 121.26 44.72 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.87 HG21 ' HE3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -123.25 115.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.375 0.607 . . . . 0.0 111.018 -178.031 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.88 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.73 115.81 18.12 Favored Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.437 -178.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 65' ' ' ILE . 36.0 Cg_exo -57.75 117.6 4.33 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.959 2.439 . . . . 0.0 112.529 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.7 -60.27 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.608 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -108.08 -55.96 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 13.8 pt20 45.56 -163.29 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.193 0.997 . . . . 0.0 113.61 173.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 t60 68.82 51.22 0.59 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.619 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.71 111.46 17.2 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -102.79 138.97 38.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.474 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 77.4 mtp -135.97 135.8 39.86 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.69 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 54.2 tttm -136.82 125.49 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 80' ' ' GLU . . . -83.62 168.32 16.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.201 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.802 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.0 t -55.42 -57.27 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.007 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.665 ' C ' HG22 ' A' ' 59' ' ' THR . 35.8 p30 -137.34 -179.02 5.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.225 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -58.49 -41.43 85.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 -175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.77 97.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.522 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.802 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.3 mm-40 -60.9 -39.84 90.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.877 175.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.79 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.1 ttt180 -59.33 -44.99 92.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.83 174.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.2 tp60 -60.5 -35.72 76.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.176 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 45.5 mtt180 -61.77 -46.66 88.63 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.319 0.581 . . . . 0.0 110.631 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.506 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -68.79 -35.6 77.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.9 mp -62.53 -31.78 72.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 176.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.9 t -63.51 -51.48 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.572 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.0 -49.9 22.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.577 HD23 ' SD ' ' A' ' 46' ' ' MET . 34.1 mt -73.67 -40.73 63.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.849 -177.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.93 91.45 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 113.205 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.8 p -63.94 -28.45 69.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.072 0.463 . . . . 0.0 110.06 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.6 m -69.28 -47.24 65.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.588 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -34.9 78.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.225 0.536 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.821 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.091 -179.092 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . 0.554 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 89.0 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.033 0.445 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -141.03 142.23 34.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.845 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -137.29 156.93 47.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.675 0.274 . . . . 0.0 110.813 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.09 -173.6 31.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.678 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.497 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.44 157.3 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.279 0.539 . . . . 0.0 110.21 178.257 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -133.75 151.36 51.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.688 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m-85 -70.06 100.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.242 175.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -98.91 116.44 31.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -67.94 133.97 50.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.525 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -119.02 -63.42 1.4 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.001 0.429 . . . . 0.0 110.732 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.79 162.34 41.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -75.33 -17.59 60.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.645 0.259 . . . . 0.0 111.493 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.38 -40.97 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.15 0.5 . . . . 0.0 110.065 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 p -87.96 -29.67 20.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.473 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.42 -98.49 2.18 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 13.6 p-90 -131.27 149.93 52.36 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -131.16 123.32 19.69 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.239 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.5 115.49 3.56 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.511 2.141 . . . . 0.0 111.876 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 33.2 mmt180 -115.66 152.8 32.48 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.969 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.45 ' CE3' HG12 ' A' ' 4' ' ' VAL . 55.6 t-105 -94.11 124.48 38.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.118 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 92.8 m-85 -122.35 146.09 47.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.894 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.21 136.14 55.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.186 0.517 . . . . 0.0 110.54 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 2.9 tm? -102.19 120.03 39.79 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -135.95 107.78 7.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.611 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 53.63 46.06 26.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.471 172.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 -5.65 80.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.287 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.49 130.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 122.181 -0.599 . . . . 0.0 110.569 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.534 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -107.44 110.24 22.15 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -114.1 148.96 36.27 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.13 -175.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 45.3 p90 -118.04 149.6 40.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -132.95 173.46 11.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.91 -39.78 69.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.935 0.398 . . . . 0.0 110.727 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.469 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 69.7 m -155.29 -177.64 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.875 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.21 -43.19 95.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.089 0.471 . . . . 0.0 110.28 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -28.33 69.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.3 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.4 t70 -69.69 -15.87 63.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.125 -174.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 176.745 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -111.33 121.98 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.759 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HB3' HG12 ' A' ' 48' ' ' VAL . 33.6 ttmt -79.79 111.66 16.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.976 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.42 -26.5 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.855 0.36 . . . . 0.0 110.983 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.74 -11.97 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.646 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.885 HG13 HD13 ' A' ' 65' ' ' ILE . 9.2 p -125.51 2.07 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.658 0.742 . . . . 0.0 110.061 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 42.5 t -124.14 132.81 53.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.424 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.667 ' HB2' HG23 ' A' ' 64' ' ' ILE . 26.3 mt-10 -88.95 129.6 35.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.997 0.427 . . . . 0.0 110.019 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.665 HG13 HG23 ' A' ' 53' ' ' VAL . 2.4 tp -99.13 115.0 38.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -85.85 109.64 18.84 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -172.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.665 HG23 HG13 ' A' ' 51' ' ' ILE . 49.4 t . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -173.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.818 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 24.2 p . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 120.683 0.278 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' H ' ' HD2' ' A' ' 81' ' ' ARG . 17.2 mmm180 -135.26 103.65 5.6 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -171.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.751 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -143.38 143.21 31.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 122.247 -0.283 . . . . 0.0 110.761 174.095 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -120.64 138.53 53.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.5 mm? -108.05 120.8 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.667 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -126.84 115.7 42.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.417 0.627 . . . . 0.0 111.219 -178.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.885 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.64 116.41 18.31 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.887 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.0 Cg_exo -53.32 115.26 2.18 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.042 2.495 . . . . 0.0 112.681 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.83 -58.67 0.65 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 30.3 mt-10 -100.44 -68.56 0.81 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 12.9 pt20 48.98 -168.47 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 168.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 63.32 39.57 9.34 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 94.0 m-85 -101.94 111.39 23.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.776 176.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -95.06 140.59 29.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.443 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 33.8 mtt -123.0 136.5 54.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.164 0.507 . . . . 0.0 110.698 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.688 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -133.84 121.51 21.89 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.58 174.68 11.33 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.696 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.31 -65.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.244 0.545 . . . . 0.0 109.928 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 87.9 m-20 -118.14 162.45 18.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.331 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.19 64.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.054 0.454 . . . . 0.0 109.83 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.3 96.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.466 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 38.6 mm-40 -67.05 -33.17 74.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.818 ' HD2' ' HA ' ' A' ' 59' ' ' THR . 45.5 ttt180 -62.92 -41.89 99.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.172 173.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.1 tp60 -58.24 -34.78 70.82 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -62.21 -43.86 97.87 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.466 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -67.93 -36.94 81.01 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.154 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.2 mp -63.59 -32.24 73.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.604 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.1 t -63.55 -51.06 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.672 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.23 -50.15 23.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.193 0.52 . . . . 0.0 111.95 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 84' ' ' TRP . 30.6 mt -74.59 -40.59 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.917 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.15 89.27 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.22 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -62.65 -26.77 68.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.142 0.496 . . . . 0.0 110.119 176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 88' ' ' LEU . 27.8 t -69.37 -47.92 62.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.064 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -60.97 -41.16 95.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.906 0.384 . . . . 0.0 110.978 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.213 -177.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 86.0 t80 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.858 0.361 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.427 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.7 tpt -139.86 143.59 36.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.986 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -135.81 153.63 51.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.207 0.317 . . . . 0.0 110.349 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.82 -164.29 27.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.753 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.468 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -124.31 161.38 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.991 0.395 . . . . 0.0 110.467 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.804 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -136.1 160.03 39.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.037 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.735 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -70.44 118.86 13.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.918 171.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -113.99 116.25 28.91 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -65.19 124.89 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -110.66 -70.16 0.83 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.818 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -142.84 162.63 34.96 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -71.23 -24.6 62.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.755 0.312 . . . . 0.0 110.961 -176.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.56 -41.25 63.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.221 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -84.48 -33.63 23.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.832 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.07 -97.29 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.735 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -122.97 135.14 54.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.828 0.347 . . . . 0.0 110.645 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -132.46 123.66 18.67 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.076 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.88 124.78 12.73 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.721 2.281 . . . . 0.0 112.217 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.43 155.76 34.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.958 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -93.68 124.46 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.36 0.413 . . . . 0.0 110.008 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.405 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 97.4 m-85 -125.69 144.02 50.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.42 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.428 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 3.1 tm? -102.0 121.22 41.75 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 175.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -137.79 107.29 6.16 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 t30 52.96 58.02 5.75 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.0 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.16 -7.71 66.36 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.892 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -114.86 131.05 68.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 117.579 0.689 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 22' ' ' LEU . 2.9 tm? -104.09 115.66 30.83 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -107.39 142.62 36.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.74 0.305 . . . . 0.0 110.821 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -118.85 137.42 53.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.484 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.489 ' CD1' HG22 ' A' ' 36' ' ' VAL . 95.7 m-85 -137.32 171.03 15.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.442 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.18 -39.68 60.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.978 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.453 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 69.1 m -154.0 -178.4 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.468 -175.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.65 -53.93 39.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.91 -25.93 68.37 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.276 0.56 . . . . 0.0 111.111 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.453 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.5 t70 -66.84 -21.08 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.943 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 30' ' ' TYR . 89.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.286 0.565 . . . . 0.0 110.98 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.739 0.304 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.94 120.13 60.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.454 0.645 . . . . 0.0 109.349 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -83.04 110.87 18.35 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.303 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.461 ' HB3' ' HB3' ' A' ' 91' ' ' SER . 95.4 mmm -63.31 -27.5 69.37 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.43 -15.17 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.811 HG13 HD13 ' A' ' 65' ' ' ILE . 6.4 p -125.33 1.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.759 0.79 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.809 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.8 t -135.84 118.88 16.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.803 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.509 ' HB3' ' HE3' ' A' ' 52' ' ' LYS . 7.7 mt-10 -87.06 143.1 27.47 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.554 0.692 . . . . 0.0 111.14 -177.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.744 HD11 ' HB3' ' A' ' 61' ' ' MET . 2.2 tp -97.53 115.07 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 167.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' HE3' ' HB3' ' A' ' 50' ' ' GLU . 7.9 mmpt? -84.22 108.21 16.97 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -172.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 51' ' ' ILE . 56.0 t . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.998 -173.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.629 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 45.6 p . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 121.01 0.433 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -128.8 98.31 4.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.026 0.441 . . . . 0.0 111.896 -174.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.8 mpp? -134.62 156.12 49.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -131.12 137.51 49.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.7 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.21 121.16 44.62 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 1.2 tp -126.25 116.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.513 0.673 . . . . 0.0 111.381 -177.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.811 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -128.52 115.9 19.68 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.74 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 65' ' ' ILE . 45.0 Cg_exo -56.7 111.86 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.914 2.409 . . . . 0.0 112.322 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 -62.66 0.62 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.721 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' C ' ' HG3' ' A' ' 69' ' ' GLN . 23.1 mt-10 -101.94 -59.81 1.64 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.451 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.453 ' HG3' ' C ' ' A' ' 68' ' ' GLU . 4.5 pp0? 45.21 -161.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 175.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.2 t60 66.41 38.96 4.13 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.737 0.78 . . . . 0.0 109.499 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.7 112.29 23.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.288 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -103.54 146.57 28.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.804 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -120.41 136.57 54.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.712 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 23.0 ttmm -152.29 123.02 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.93 -174.47 4.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.215 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.83 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 52.8 t -65.52 -61.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.63 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -136.37 174.73 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.384 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.83 -45.04 29.44 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.21 99.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.082 0.468 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.83 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 36.2 mm-40 -63.23 -38.63 91.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.542 0.687 . . . . 0.0 109.941 175.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.629 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.1 tmm_? -59.95 -40.14 87.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.086 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 tp60 -66.97 -33.8 76.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 0.0 111.02 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.468 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.3 m95 -69.37 -35.13 75.52 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.411 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.1 mp -60.63 -32.85 71.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.25 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.1 t -63.38 -51.89 65.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.14 176.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.72 -50.28 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 112.031 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.4 mt -72.93 -33.7 66.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.512 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.56 -31.43 74.73 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.898 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.4 t -57.05 -36.43 70.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 110.008 174.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.461 ' HB3' ' HB3' ' A' ' 46' ' ' MET . 28.3 m -70.55 -49.89 43.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.489 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -37.51 87.76 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.773 0.321 . . . . 0.0 111.667 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.357 -176.656 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 75.3 t80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt -138.7 137.16 36.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.16 145.96 42.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.23 -169.17 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -117.75 157.97 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.303 0.551 . . . . 0.0 110.27 179.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.47 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.6 mm? -132.06 151.02 52.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.308 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.723 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 4.2 t80 -61.43 115.93 4.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 172.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -117.65 124.0 47.51 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.17 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -73.28 142.11 47.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.95 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 p -125.0 -78.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -136.85 156.88 47.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -67.7 -23.49 65.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.45 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.2 -40.01 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 0.0 110.99 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -88.59 -29.19 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.794 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -111.47 3.71 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CZ3' ' HA ' ' A' ' 6' ' ' TYR . 6.8 p-90 -127.75 149.27 50.31 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -131.74 125.01 20.19 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.878 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.81 116.82 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.367 2.044 . . . . 0.0 111.134 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.651 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.6 mmp_? -107.56 151.63 25.35 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -93.25 117.52 30.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 89.0 m-85 -114.76 144.19 43.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.004 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -133.38 135.33 56.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.15 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -103.47 119.66 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.52 112.29 5.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.422 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.41 44.94 23.61 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.664 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.76 -1.53 88.62 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.95 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.53 129.05 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -106.31 110.51 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 19.5 m -107.73 148.24 29.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.004 -173.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.495 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 23.2 p90 -122.23 133.78 54.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.703 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.492 ' CD1' HG22 ' A' ' 36' ' ' VAL . 58.3 m-85 -134.65 165.38 25.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.135 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.7 -36.73 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -158.03 -177.27 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -71.76 -39.41 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.122 0.487 . . . . 0.0 110.042 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.96 -25.19 63.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.23 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -89.31 -14.0 36.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.417 -173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.492 HG22 ' CD1' ' A' ' 30' ' ' TYR . 59.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.004 0.43 . . . . 0.0 111.408 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.578 0.228 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.13 121.25 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.231 0.539 . . . . 0.0 110.296 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.636 ' HG2' HG12 ' A' ' 48' ' ' VAL . 18.4 ttmt -86.18 111.59 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.434 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.549 ' SD ' HD23 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -58.41 -35.18 71.66 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.547 -178.156 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.66 -9.57 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.692 HG13 HD13 ' A' ' 65' ' ' ILE . 9.5 p -125.26 -3.87 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.24 0.543 . . . . 0.0 110.647 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.886 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 47.6 m -117.45 134.66 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.902 0.382 . . . . 0.0 110.454 -176.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.505 ' CB ' HG23 ' A' ' 64' ' ' ILE . 2.4 mm-40 -88.72 124.19 33.87 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.669 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.9 114.34 36.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.0 mmmt -84.47 108.78 17.45 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.589 -169.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.669 HG23 HG13 ' A' ' 51' ' ' ILE . 55.5 t . . . . . 0 N--CA 1.448 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.259 -173.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.877 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 48.72 95.53 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.535 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.2 mpp? -133.78 140.72 47.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.779 173.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -113.59 139.32 49.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.108 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 51' ' ' ILE . 4.0 mm? -109.03 121.5 45.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 109.739 175.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.505 HG23 ' CB ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -122.86 116.58 49.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.886 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.8 119.31 24.18 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.989 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.694 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.1 Cg_exo -54.41 122.82 12.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.999 2.466 . . . . 0.0 112.658 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.65 -50.35 0.78 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.177 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -107.67 -65.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.404 -0.118 . . . . 0.0 110.837 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.574 ' H ' HG23 ' A' ' 65' ' ' ILE . 28.1 pt20 47.18 -163.26 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.249 1.02 . . . . 0.0 113.389 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 68.58 52.92 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.734 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -125.96 112.86 16.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -103.78 135.45 45.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.712 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.465 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.8 mtp -130.61 137.27 49.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.092 0.472 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 58.0 tttm -138.36 121.88 17.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.95 169.31 18.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.072 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.72 -54.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 123.553 0.533 . . . . 0.0 111.001 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.45 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -143.04 168.44 19.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.142 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.631 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -50.98 -40.9 58.98 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.446 ' HB3' ' ND2' ' A' ' 77' ' ' ASN . . . -62.67 -44.48 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.958 0.409 . . . . 0.0 111.872 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 53.5 mm-40 -63.33 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.453 0.644 . . . . 0.0 110.908 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.877 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -56.74 -38.14 71.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.036 172.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 86' ' ' VAL . 27.2 tp60 -67.76 -34.36 76.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.503 -176.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -64.47 -45.24 88.27 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 110.39 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.53 ' HB3' HD12 ' A' ' 88' ' ' LEU . 90.6 m95 -66.63 -36.26 82.15 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.155 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' A' ' 81' ' ' ARG . 3.1 mp -62.68 -32.23 73.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.748 177.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -64.19 -51.31 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.707 176.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -49.65 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' A' ' 46' ' ' MET . 30.0 mt -74.34 -44.64 51.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.292 0.568 . . . . 0.0 111.954 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.94 -29.99 73.92 Favored Glycine 0 N--CA 1.453 -0.18 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.153 -173.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -64.33 -26.92 68.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.908 0.385 . . . . 0.0 110.409 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.2 t -70.16 -49.41 50.8 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.753 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.6 -36.74 67.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 111.904 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.638 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.883 -179.058 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 72.9 t80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.885 0.374 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt -140.23 136.75 33.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 159.38 39.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.98 -170.82 30.73 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.467 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -117.87 153.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 117.148 0.474 . . . . 0.0 110.365 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.62 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -130.44 150.21 51.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.713 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -70.66 103.13 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.163 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -98.25 116.67 30.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.807 0.337 . . . . 0.0 110.248 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -70.45 131.93 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.625 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -115.75 -65.27 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.068 0.461 . . . . 0.0 111.401 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -148.82 168.46 22.92 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -76.5 -27.04 55.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.578 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.66 -39.32 64.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.11 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 p -87.91 -26.93 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.756 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.26 -119.34 4.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 19.8 p-90 -120.98 157.51 29.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -129.79 123.19 20.94 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.699 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.42 94.94 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 111.673 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -102.44 155.95 17.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.195 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.413 ' CE3' HG12 ' A' ' 4' ' ' VAL . 49.4 t-105 -94.47 124.34 38.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.567 -171.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.449 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 88.2 m-85 -121.84 147.52 45.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.594 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.534 HG22 ' HE1' ' A' ' 30' ' ' TYR . 35.3 m -136.36 136.89 48.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.741 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -101.98 120.26 40.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 173.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -145.23 108.41 4.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.15 61.08 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.49 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.85 -8.02 12.84 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.888 -0.596 . . . . 0.0 114.2 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.95 132.5 60.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 117.769 0.785 . . . . 0.0 111.053 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.627 HD23 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -103.95 110.1 22.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -108.38 146.9 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.898 0.38 . . . . 0.0 111.249 -174.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -117.09 138.57 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 84.3 m-85 -128.02 167.88 16.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.26 -37.83 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.232 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 p -151.98 -179.18 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.995 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.62 -37.8 80.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.02 -34.85 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.35 -21.34 66.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.662 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.564 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 88.5 t . . . . . 0 C--O 1.235 0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.4 mt -110.9 120.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.442 0.639 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 17.9 ttmt -81.07 112.73 18.71 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.322 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.415 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -62.25 -33.57 74.87 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.001 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.41 60.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.954 HG13 HD13 ' A' ' 65' ' ' ILE . 9.5 p -124.69 -7.76 6.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.409 0.623 . . . . 0.0 110.383 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.757 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.8 t -117.23 122.45 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.999 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' A' ' 64' ' ' ILE . 38.8 mt-10 -88.04 135.03 33.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.169 0.509 . . . . 0.0 110.352 -175.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.702 HG13 HG23 ' A' ' 53' ' ' VAL . 2.0 tp -99.04 118.35 45.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.968 ' HE3' HG21 ' A' ' 64' ' ' ILE . 19.3 mmtp -84.06 108.55 17.06 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.13 0.49 . . . . 0.0 109.832 -172.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.702 HG23 HG13 ' A' ' 51' ' ' ILE . 77.2 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.533 -176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.816 ' HA ' ' HG3' ' A' ' 81' ' ' ARG . 36.4 p . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -160.77 106.67 1.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.09 0.471 . . . . 0.0 111.904 175.523 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.754 ' SD ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mpp? -139.06 156.36 47.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.844 173.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -127.7 134.3 49.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.466 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.97 121.05 43.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.968 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -125.18 116.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-O 121.342 0.591 . . . . 0.0 111.473 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.954 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.52 117.41 18.65 Favored Pre-proline 0 N--CA 1.449 -0.503 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.024 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD2' HD12 ' A' ' 65' ' ' ILE . 58.8 Cg_exo -53.49 119.67 6.57 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.113 2.542 . . . . 0.0 113.079 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.1 -46.48 1.21 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.118 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.91 -78.53 0.4 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.931 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.9 pt20 43.06 -156.85 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.669 1.188 . . . . 0.0 112.91 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.0 t60 71.92 27.74 2.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 109.887 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -112.35 111.72 22.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.233 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -109.21 135.14 50.81 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.62 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.2 mtp -127.23 136.43 52.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.18 0.514 . . . . 0.0 110.334 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.713 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 80.7 tttt -138.51 123.62 19.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -79.9 177.77 8.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.231 -178.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.77 -59.11 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 110.597 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 10.7 p30 -136.97 169.93 16.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.652 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.86 49.43 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.332 0.395 . . . . 0.0 111.647 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -59.99 -45.4 92.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.965 0.412 . . . . 0.0 111.584 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.46 -39.17 89.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.696 0.76 . . . . 0.0 110.522 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.816 ' HG3' ' HA ' ' A' ' 59' ' ' THR . 2.2 tmt_? -63.92 -40.25 96.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.043 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.474 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.3 tp60 -61.35 -34.68 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.51 -44.16 91.78 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.999 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.449 ' HH2' ' O ' ' A' ' 20' ' ' PHE . 94.4 m95 -64.9 -35.72 82.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.166 0.508 . . . . 0.0 110.07 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.485 HD13 ' HD3' ' A' ' 81' ' ' ARG . 3.0 mp -62.83 -32.67 73.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.732 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -63.06 -51.01 77.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.635 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.33 -49.78 25.57 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.1 mt -73.52 -40.02 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.46 . . . . 0.0 112.006 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -35.61 92.3 Favored Glycine 0 C--O 1.234 0.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 113.499 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.6 p -64.94 -33.08 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.4 . . . . 0.0 110.643 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 t -68.92 -43.09 75.89 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.968 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HB2' HG23 ' A' ' 51' ' ' ILE . 1.1 ttpm? -55.89 -39.09 71.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.299 0.639 . . . . 0.0 112.387 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.811 -172.522 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.481 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -131.97 138.74 48.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.879 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -144.48 150.13 37.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.26 -172.29 34.69 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.528 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.0 155.56 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.432 0.616 . . . . 0.0 110.458 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.675 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.5 160.14 39.39 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.884 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -73.61 117.15 15.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.284 0.564 . . . . 0.0 110.258 172.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -112.52 115.97 29.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.287 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.8 128.16 35.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.094 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 p -113.96 -62.98 1.52 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -158.28 159.12 35.63 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -75.18 -16.05 60.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.155 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.64 -41.46 62.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.42 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -83.75 -40.24 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.327 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.29 -108.48 3.62 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.884 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.9 p-90 -127.65 150.93 49.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 77.2 mm-40 -131.09 122.46 19.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.539 176.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 56.1 Cg_endo -70.99 115.56 4.32 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.456 2.104 . . . . 0.0 111.398 171.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 29.7 mmt180 -118.38 159.05 24.11 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.448 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -93.99 117.68 30.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 82.3 m-85 -115.92 144.0 44.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.953 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.36 137.07 53.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.288 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.623 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -102.21 120.72 40.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.44 110.09 6.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.214 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.2 t30 50.45 53.24 13.27 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.314 171.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.59 -3.63 81.79 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.176 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -112.1 131.35 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.016 0.436 . . . . 0.0 110.414 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.623 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.67 110.5 22.7 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 p -116.74 135.44 53.76 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.136 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.483 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 49.9 p90 -104.43 148.51 26.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.411 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.527 ' CD2' HG22 ' A' ' 36' ' ' VAL . 95.5 m-85 -136.74 170.03 16.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.08 -40.14 68.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.011 0.434 . . . . 0.0 110.257 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.427 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 45.2 m -161.98 -176.09 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.809 -178.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -64.05 -39.7 94.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 110.17 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.97 -32.84 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.377 0.608 . . . . 0.0 111.554 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.5 t70 -78.22 -16.57 57.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.287 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.527 HG22 ' CD2' ' A' ' 30' ' ' TYR . 99.5 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.183 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.739 0.304 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.92 120.66 62.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.957 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -81.14 112.81 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.952 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 92.5 mmm -64.21 -27.12 68.84 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.446 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.25 -16.13 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.032 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.889 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.55 0.59 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.618 0.723 . . . . 0.0 110.271 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.591 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.9 t -122.23 133.11 54.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.068 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.481 ' OE1' ' HG3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -88.37 146.98 24.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.723 0.773 . . . . 0.0 110.229 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.685 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -119.09 114.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.289 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.887 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.3 mmpt? -85.18 108.68 17.83 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.913 -170.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.685 HG23 HG13 ' A' ' 51' ' ' ILE . 38.5 t . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.415 -171.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.764 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 17.2 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -107.58 118.57 37.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.978 0.418 . . . . 0.0 111.301 -170.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.592 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.9 mpp? -138.36 156.53 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.93 138.04 50.67 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.407 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.26 120.63 42.35 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -123.06 114.54 42.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.491 0.662 . . . . 0.0 110.853 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.889 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -124.96 115.89 26.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.623 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.65 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.9 Cg_exo -53.32 119.48 6.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.269 2.646 . . . . 0.0 112.872 -174.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.28 -53.03 0.62 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.936 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.12 -71.23 0.69 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.562 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.7 pt20 45.41 -161.46 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.512 1.125 . . . . 0.0 113.704 174.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 68.56 38.6 2.29 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.091 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -111.45 111.9 23.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.487 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -102.86 143.02 33.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.675 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -121.07 136.53 54.96 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.65 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 47.5 tttp -147.18 122.23 10.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.17 0.51 . . . . 0.0 110.438 172.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 173.83 8.91 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.929 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.711 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 75.5 t -55.76 -57.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.46 0.475 . . . . 0.0 111.033 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.613 ' C ' HG22 ' A' ' 59' ' ' THR . 31.8 p30 -139.81 179.31 6.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.153 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -57.44 -39.17 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 110.992 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.43 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.422 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.711 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 28.8 mm-40 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.302 0.573 . . . . 0.0 110.58 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.764 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 23.8 ttt180 -57.63 -45.19 85.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.906 174.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.553 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.7 tp60 -61.84 -33.12 73.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.795 -176.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.11 -45.09 93.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.532 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -69.05 -34.96 76.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.084 0.469 . . . . 0.0 110.46 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.563 ' HG ' HG13 ' A' ' 53' ' ' VAL . 5.7 mp -60.86 -32.37 71.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.153 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.8 t -65.58 -52.08 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.106 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.86 -50.31 24.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.268 0.556 . . . . 0.0 111.825 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.544 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.8 mt -74.42 -41.97 59.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.655 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.95 -32.04 76.5 Favored Glycine 0 N--CA 1.454 -0.161 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.048 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.0 p -67.84 -26.18 65.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -69.61 -34.16 73.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.09 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.481 ' HG3' ' OE1' ' A' ' 50' ' ' GLU . 12.1 ttpp -64.21 -22.3 66.89 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.549 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.494 -177.536 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt -141.9 137.53 31.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 155.63 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.9 -171.3 34.93 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.665 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.51 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -113.21 157.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.06 179.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.585 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -134.87 155.18 51.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.752 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -71.74 126.76 30.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.351 173.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.06 124.24 42.67 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.992 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -74.68 99.58 3.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -69.84 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -162.08 171.37 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.553 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -57.04 -35.61 69.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.89 -41.4 87.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.702 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -87.35 -28.48 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 111.561 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.29 -91.21 1.64 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.18 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 3.5 p-90 -140.1 140.59 36.1 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -131.29 123.82 19.89 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.0 129.31 21.6 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.646 2.23 . . . . 0.0 111.945 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 31' ' ' ASP . 25.1 mmt180 -120.66 155.34 34.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.705 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.413 ' HE3' HG12 ' A' ' 4' ' ' VAL . 62.3 t-105 -94.34 121.54 35.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD2' HD23 ' A' ' 5' ' ' LEU . 98.5 m-85 -122.91 147.79 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.102 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.44 136.22 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.256 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -103.19 119.34 38.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -144.6 121.11 11.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.953 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 60.75 29.76 19.23 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.898 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.13 7.12 83.83 Favored Glycine 0 C--N 1.322 -0.237 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.568 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -115.05 134.37 58.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -104.42 110.68 23.04 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -108.04 140.32 41.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -103.61 146.04 29.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.783 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -138.08 155.42 48.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.064 0.459 . . . . 0.0 110.504 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 2.2 m-20 -73.17 -27.72 61.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.056 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 16.7 t -168.56 -176.96 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.124 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -38.16 88.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.202 0.525 . . . . 0.0 109.871 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.51 -20.94 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.082 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.0 t70 -82.69 -15.03 53.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.175 0.512 . . . . 0.0 110.561 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.885 -179.656 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt -110.45 119.63 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.384 0.611 . . . . 0.0 109.937 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -83.48 113.8 21.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.9 mmm -64.74 -27.7 69.08 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.71 -10.41 59.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.915 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.67 -6.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.26 0.553 . . . . 0.0 110.235 176.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.721 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.7 t -121.83 125.28 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.869 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.614 ' HB2' HG23 ' A' ' 64' ' ' ILE . 26.7 mt-10 -87.25 133.66 33.64 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.272 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.488 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -97.97 113.32 32.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 164.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HD2' HG21 ' A' ' 64' ' ' ILE . 3.2 mtpt -99.91 108.72 21.03 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.79 0.805 . . . . 0.0 109.667 -170.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.488 HG23 HG13 ' A' ' 51' ' ' ILE . 41.0 t . . . . . 0 N--CA 1.444 -0.768 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.097 -174.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.852 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 39.4 p . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 32.76 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.473 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 1.2 mpp? -133.93 157.09 46.9 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.47 138.72 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.061 -0.399 . . . . 0.0 111.831 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.15 121.45 43.8 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.614 HG23 ' HB2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -127.89 117.0 44.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.433 0.635 . . . . 0.0 111.304 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.915 HD13 HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -125.43 118.25 24.87 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.605 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.1 Cg_exo -58.43 111.85 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.92 2.413 . . . . 0.0 112.077 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.98 -62.68 0.62 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.331 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -104.23 -60.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.689 -0.115 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' H ' HG23 ' A' ' 65' ' ' ILE . 11.1 pt20 48.16 -160.85 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.346 1.058 . . . . 0.0 113.561 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.5 t60 65.84 48.97 1.75 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.091 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.04 111.27 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -101.01 139.14 37.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.585 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -120.98 137.81 54.46 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -175.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.752 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 18.1 ttpp -150.38 120.27 7.12 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.08 -179.15 4.78 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.758 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.799 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.3 t -62.22 -57.74 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.093 0.473 . . . . 0.0 110.086 177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.459 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 11.0 p30 -142.65 175.03 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.603 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.27 -44.65 16.66 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -44.63 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.799 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.8 mm-40 -61.2 -38.63 87.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.254 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.852 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 22.0 ttp180 -57.23 -45.87 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.982 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 56.3 tp60 -62.41 -34.52 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HD3' ' OE1' ' A' ' 80' ' ' GLU . 68.1 mtp180 -66.08 -44.51 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.739 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.527 ' CZ2' HD21 ' A' ' 5' ' ' LEU . 94.9 m95 -66.67 -35.81 81.05 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 109.957 175.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.489 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.724 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.6 t -64.2 -51.6 66.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.792 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.19 20.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.452 . . . . 0.0 111.627 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.0 mt -74.89 -44.86 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.791 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.43 -36.75 93.57 Favored Glycine 0 CA--C 1.513 -0.055 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.131 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.5 m -61.98 -28.68 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.19 0.519 . . . . 0.0 110.172 176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t -71.3 -36.02 71.5 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.713 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -70.78 -43.09 69.45 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 0.0 110.525 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.021 -179.614 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 62.0 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt -127.29 135.57 50.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.357 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.905 0.383 . . . . 0.0 111.339 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.44 -167.22 28.58 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.498 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.1 m -117.73 159.89 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.245 0.523 . . . . 0.0 110.6 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.754 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.8 159.79 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.717 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -68.53 127.7 33.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.292 172.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -121.18 117.7 27.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.058 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -73.38 131.75 42.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.652 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 p -117.95 -73.24 0.65 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -139.8 155.24 47.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -71.48 -17.25 62.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.974 0.416 . . . . 0.0 110.071 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.01 -41.42 64.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.678 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -84.91 -36.33 21.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.204 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.28 -102.84 2.62 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 7.1 p-90 -137.91 147.66 44.6 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 17.1 mm-40 -127.93 122.1 22.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 31.9 Cg_endo -64.26 123.75 12.32 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.062 1.841 . . . . 0.0 111.577 172.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.21 156.52 34.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.255 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -94.27 122.5 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.095 0.474 . . . . 0.0 110.262 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 89.9 m-85 -122.99 145.26 48.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.378 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -135.94 136.28 49.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.81 118.82 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -147.34 121.79 9.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.199 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 56.89 42.02 27.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.609 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.95 5.14 84.31 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.837 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 38.6 mm -116.45 132.34 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -104.48 109.0 20.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 p -108.82 148.79 30.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.05 0.452 . . . . 0.0 111.391 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -121.07 135.09 55.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.096 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.494 ' CD2' HG22 ' A' ' 36' ' ' VAL . 97.1 m-85 -132.33 170.68 14.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -71.55 -39.86 70.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.486 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 68.9 m -156.75 -178.21 7.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.208 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.6 -49.61 76.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.114 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 -30.78 71.12 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.104 0.478 . . . . 0.0 111.302 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.486 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.8 t70 -69.06 -24.01 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.508 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 30' ' ' TYR . 94.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.212 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.442 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 9.7 p . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.047 0.451 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.9 mt -112.56 124.28 69.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.164 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -79.5 114.65 18.59 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.081 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -62.82 -31.77 72.83 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.289 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.01 -9.62 58.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.882 HG13 HD13 ' A' ' 65' ' ' ILE . 9.1 p -124.62 2.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.781 0.8 . . . . 0.0 109.899 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.681 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 31.3 t -129.21 128.19 42.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.324 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.576 ' HB2' HG23 ' A' ' 64' ' ' ILE . 49.5 mt-10 -86.81 138.96 31.16 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.054 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.514 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.72 116.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 166.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HE2' HG21 ' A' ' 64' ' ' ILE . 29.5 mmtt -83.01 106.64 14.99 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.98 -169.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 92' ' ' LYS . 72.1 t . . . . . 0 N--CA 1.446 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.927 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.641 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 22.4 p . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -89.12 127.97 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -168.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.421 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.9 mpp? -141.14 157.83 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.895 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -123.43 141.21 52.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.842 -0.536 . . . . 0.0 111.074 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.04 120.47 41.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.747 HG21 ' HE2' ' A' ' 52' ' ' LYS . 1.2 tp -124.56 115.76 45.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.428 0.632 . . . . 0.0 111.56 -176.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.882 HD13 HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -128.45 114.05 19.62 Favored Pre-proline 0 N--CA 1.448 -0.551 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.672 177.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.677 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.5 Cg_exo -54.12 115.18 2.19 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.096 2.531 . . . . 0.0 112.945 -172.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.95 -55.21 0.55 Allowed Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.686 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 38.6 mt-10 -88.73 -71.84 0.57 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.624 ' H ' HG23 ' A' ' 65' ' ' ILE . 10.3 pt20 43.48 -157.72 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.427 1.08 . . . . 0.0 113.609 169.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 65.7 29.94 10.53 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.493 0.663 . . . . 0.0 109.95 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -105.25 111.75 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.703 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.43 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -106.97 141.48 38.12 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.754 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -121.17 137.03 54.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.143 -174.066 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 85.4 tttt -148.13 120.53 8.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 169.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.94 176.23 9.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.373 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.898 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.2 t -55.88 -54.68 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.064 0.459 . . . . 0.0 110.649 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.521 ' C ' HG22 ' A' ' 59' ' ' THR . 32.1 p30 -143.72 177.98 8.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.304 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -54.61 -39.18 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 111.22 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.06 88.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.834 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.898 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.6 mm-40 -60.87 -36.44 79.19 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.301 0.572 . . . . 0.0 110.349 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.641 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.75 -40.32 75.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.989 174.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.496 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.9 tp60 -64.92 -33.9 77.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.037 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 57.0 mtt180 -63.66 -44.1 94.77 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.096 0.474 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.518 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.9 m95 -68.27 -35.33 77.71 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.073 175.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.626 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.5 mp -63.15 -31.15 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.932 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.86 -51.64 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.09 25.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.084 0.469 . . . . 0.0 112.071 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 84' ' ' TRP . 23.4 mt -73.98 -40.13 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.612 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.94 -30.02 70.43 Favored Glycine 0 CA--C 1.512 -0.129 0 CA-C-N 115.773 -0.648 . . . . 0.0 113.327 -173.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -63.96 -30.78 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.8 m -69.77 -37.56 76.41 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.752 173.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.527 ' HD3' ' HB ' ' A' ' 53' ' ' VAL . 16.1 ttpp -59.46 -21.1 59.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.885 -177.508 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 78.9 t80 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tpt -140.35 139.7 35.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.452 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -140.39 163.68 32.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.578 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.33 24.4 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.431 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -112.26 157.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 117.666 0.733 . . . . 0.0 110.565 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 84' ' ' TRP . 3.6 mm? -132.41 150.07 52.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.187 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.676 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -71.49 119.84 16.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.808 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -123.52 123.41 40.55 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -85.56 128.95 34.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.579 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.0 p -109.98 -81.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.708 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -127.09 156.78 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -68.45 -21.97 64.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.42 -41.02 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.936 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.647 ' HB ' ' NE2' ' A' ' 16' ' ' GLN . 3.1 p -82.34 -40.4 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.292 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.49 -125.85 8.72 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.749 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.615 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.7 p-90 -110.22 136.38 49.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.647 ' NE2' ' HB ' ' A' ' 13' ' ' THR . 23.5 mp0 -121.37 120.88 28.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.526 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.96 126.24 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.277 1.985 . . . . 0.0 111.983 170.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.602 HH11 ' HA ' ' A' ' 31' ' ' ASP . 22.9 mmt180 -129.64 155.77 45.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -94.01 120.9 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 110.179 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 58.7 m-85 -115.97 148.91 39.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.54 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' HE2' ' A' ' 30' ' ' TYR . 34.7 m -135.58 135.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.999 0.428 . . . . 0.0 110.445 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.78 120.3 40.36 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -138.88 106.19 5.52 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 123.299 0.374 . . . . 0.0 110.451 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 49.22 64.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.53 -10.47 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.978 -0.63 . . . . 0.0 113.986 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mm -114.86 130.91 68.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.859 0.829 . . . . 0.0 111.128 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.6 111.28 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -113.27 144.38 42.82 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 122.312 -0.242 . . . . 0.0 111.025 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 41.2 p90 -117.89 139.04 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.691 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.536 ' HE2' HG22 ' A' ' 21' ' ' VAL . 71.1 m-85 -130.57 177.85 7.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.765 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HA ' HH11 ' A' ' 18' ' ' ARG . 13.0 t70 -69.02 -38.47 79.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.433 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 11.5 p -172.5 -171.93 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 -176.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -44.93 86.61 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.284 0.365 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.69 -39.65 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.861 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' A' ' 30' ' ' TYR . 26.6 t70 -74.0 -14.58 61.04 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.531 -172.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.499 . . . . 0.0 110.724 178.334 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.7 mt -110.89 120.72 62.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.568 0.699 . . . . 0.0 110.323 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -83.84 114.47 21.66 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.43 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.42 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -63.99 -28.85 70.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.965 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.86 -15.24 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.995 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.885 HG13 HD13 ' A' ' 65' ' ' ILE . 8.2 p -125.0 0.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.525 0.678 . . . . 0.0 110.336 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.626 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 41.2 t -126.19 134.74 51.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.428 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.66 ' HB2' HG23 ' A' ' 64' ' ' ILE . 53.3 mt-10 -89.36 134.76 33.93 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.444 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.654 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.91 115.88 41.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 165.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -85.38 109.34 18.34 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.234 0.54 . . . . 0.0 109.766 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 51' ' ' ILE . 74.2 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.358 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.599 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 43.4 p . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -128.56 99.48 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.804 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.786 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.1 mpp? -141.78 155.35 45.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.603 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -136.58 141.59 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.095 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.01 120.28 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.66 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -124.86 116.07 46.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.553 0.692 . . . . 0.0 111.027 -178.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.885 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -126.38 115.2 23.33 Favored Pre-proline 0 N--CA 1.447 -0.579 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.739 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' A' ' 65' ' ' ILE . 43.4 Cg_exo -56.55 114.81 2.08 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.918 2.412 . . . . 0.0 112.279 -175.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.78 -58.63 0.69 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.804 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 24.5 mt-10 -101.91 -62.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.437 ' HG2' ' C ' ' A' ' 68' ' ' GLU . 17.1 pt20 46.28 -162.25 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.337 1.055 . . . . 0.0 113.564 171.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 67.9 40.78 2.26 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.382 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.65 112.34 23.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.789 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -108.45 146.94 32.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mtt -127.86 137.28 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.263 0.554 . . . . 0.0 112.205 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.676 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 78.8 tttt -138.28 122.11 17.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.225 166.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -79.72 -179.71 7.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.245 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.77 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 94.4 t -59.04 -55.74 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.11 0.481 . . . . 0.0 110.746 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.483 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -145.56 170.68 15.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.838 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -49.33 -42.71 42.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.35 97.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.009 0.433 . . . . 0.0 111.412 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.77 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 20.7 mm-40 -64.8 -33.69 76.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.595 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.786 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 26.8 ttt180 -58.63 -45.23 89.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.0 tp60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.787 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -62.26 -45.53 92.88 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.055 0.455 . . . . 0.0 111.035 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.499 ' HB3' HD12 ' A' ' 88' ' ' LEU . 92.8 m95 -68.84 -36.6 78.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 109.937 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.2 mp -60.34 -32.54 71.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.097 175.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 82' ' ' GLN . 41.8 t -62.78 -51.76 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.894 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.28 15.19 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.029 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.581 ' HB3' HG12 ' A' ' 51' ' ' ILE . 35.3 mt -73.48 -44.94 56.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.339 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.47 -33.27 86.79 Favored Glycine 0 C--O 1.229 -0.163 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.811 -173.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.9 m -65.24 -31.97 73.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.025 0.44 . . . . 0.0 110.193 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 t -70.51 -32.03 69.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.54 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HB2' HG23 ' A' ' 51' ' ' ILE . 14.3 tttm -70.14 -39.95 75.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.902 0.382 . . . . 0.0 111.076 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.857 -176.148 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 74.7 t80 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -140.06 140.29 36.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.264 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.7 153.45 49.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.79 -165.67 28.82 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.407 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.26 160.87 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 117.12 0.46 . . . . 0.0 110.39 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -133.22 151.73 51.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.202 176.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.741 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -67.9 119.79 13.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.982 171.465 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 1.7 tmtp? -116.96 116.64 27.77 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -74.4 123.03 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.126 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 p -106.26 -65.26 1.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -155.24 166.77 32.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -70.33 -26.89 63.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.723 0.297 . . . . 0.0 110.817 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.85 -41.58 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.037 0.446 . . . . 0.0 111.129 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 p -86.11 -27.2 24.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.546 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.8 -121.67 5.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.633 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.741 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.3 p-90 -113.7 145.18 41.73 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 21.6 mm-40 -130.75 121.88 19.29 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.426 176.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 37.9 Cg_endo -67.71 114.98 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.643 2.228 . . . . 0.0 111.883 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -112.32 154.24 25.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -93.58 127.79 39.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.7 m-85 -129.69 145.52 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.835 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.52 HG22 ' HE1' ' A' ' 30' ' ' TYR . 27.9 m -134.09 136.4 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.976 0.417 . . . . 0.0 110.064 174.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 27' ' ' LEU . 3.0 tm? -102.29 119.44 38.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -144.44 131.3 20.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.16 0.505 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 57.73 31.53 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.123 173.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.69 8.32 87.0 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.066 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.69 134.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.543 -0.386 . . . . 0.0 110.246 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -105.67 110.03 22.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -108.41 148.86 29.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -176.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -110.84 145.17 38.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 97.3 m-85 -133.96 162.63 31.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.484 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.53 -37.66 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.417 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 3.2 p -161.16 -176.72 5.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.889 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.19 -47.88 78.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.521 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -71.7 -19.16 62.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.61 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.4 t70 -68.39 -18.05 64.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.128 0.49 . . . . 0.0 110.226 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.656 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 90.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.915 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 121.003 0.43 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.31 120.15 60.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.563 0.697 . . . . 0.0 109.468 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HG2' HG12 ' A' ' 48' ' ' VAL . 22.0 ttmt -84.08 104.35 14.07 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.427 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.2 -26.87 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 111.585 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.62 63.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.937 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.683 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -125.36 -2.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.434 0.635 . . . . 0.0 110.372 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.838 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 33.6 m -122.36 127.94 50.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.255 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.767 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.6 mm-40 -87.93 128.99 35.37 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.297 0.57 . . . . 0.0 110.726 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.62 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -97.92 122.5 49.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.704 ' HE3' HG21 ' A' ' 64' ' ' ILE . 13.3 mmtp -84.58 107.08 16.61 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.721 -172.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.62 HG23 HG13 ' A' ' 51' ' ' ILE . 88.8 t . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.005 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.624 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 73.6 p . . . . . 0 N--CA 1.467 0.397 0 CA-C-O 121.104 0.478 . . . . 0.0 112.208 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -131.91 94.34 3.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.49 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.2 mpp? -139.24 153.86 47.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -136.76 139.74 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.002 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.94 121.01 43.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.767 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -123.42 115.7 46.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.451 0.643 . . . . 0.0 110.718 -179.182 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.838 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -130.28 119.94 18.83 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.936 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.9 Cg_exo -56.15 124.8 17.15 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.628 2.219 . . . . 0.0 111.96 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.68 -52.22 0.68 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.958 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 24.7 mt-10 -110.48 -68.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.74 -0.27 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 2.3 pt20 48.62 -161.46 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.081 0.952 . . . . 0.0 113.326 174.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 64.78 50.95 1.92 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.698 0.761 . . . . 0.0 110.104 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.72 116.34 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.992 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -110.42 139.32 45.76 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.481 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 28.6 mtt -121.42 136.85 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.181 0.515 . . . . 0.0 111.378 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.695 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 81.0 tttt -134.98 121.1 20.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.94 178.93 7.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.845 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 80.5 t -58.6 -55.88 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.692 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.471 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -142.73 171.51 13.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.194 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.71 -41.43 31.77 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.08 90.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.845 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 17.6 mm-40 -60.94 -36.11 78.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 109.92 177.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.624 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.73 -45.82 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.982 174.266 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 1.8 tt0 -68.31 -32.46 72.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.521 -176.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -61.44 -42.69 99.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.919 0.39 . . . . 0.0 110.631 176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -66.62 -38.84 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.145 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.599 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 6.7 mp -60.14 -32.72 71.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.507 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 82' ' ' GLN . 48.8 t -63.54 -51.74 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.006 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.97 25.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 111.597 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.452 ' HB3' HG12 ' A' ' 51' ' ' ILE . 25.4 mt -72.46 -37.26 68.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.235 0.54 . . . . 0.0 111.135 -176.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.85 -31.65 73.04 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.886 -0.674 . . . . 0.0 111.605 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -61.77 -35.91 79.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -66.8 -49.59 65.34 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.475 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -37.25 86.65 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.762 -178.654 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 90.0 t80 . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -137.27 137.16 38.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.759 0.314 . . . . 0.0 111.173 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -143.5 162.09 36.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.991 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.44 179.87 22.91 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.511 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -106.2 157.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.213 0.53 . . . . 0.0 110.155 178.711 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -131.41 151.34 51.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.034 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.673 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -70.62 99.84 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.945 175.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -99.01 115.37 28.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.024 0.44 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.01 139.04 48.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.823 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -120.05 -68.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -143.38 163.23 33.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -62.79 -33.71 75.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.82 -41.07 62.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -84.25 -31.37 25.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.812 -176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.98 -119.16 5.03 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.616 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 12.4 p-90 -119.18 154.42 33.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 -177.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -127.71 123.0 22.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.676 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.55 105.37 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.6 2.2 . . . . 0.0 111.91 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 32.7 mmt180 -111.25 150.55 29.45 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.371 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.409 ' CE3' HG12 ' A' ' 4' ' ' VAL . 39.3 t-105 -94.16 125.47 38.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.249 -173.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 5' ' ' LEU . 58.1 m-85 -120.13 148.08 44.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.999 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -135.69 136.58 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.468 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.611 HD23 HD23 ' A' ' 27' ' ' LEU . 2.7 tm? -102.53 119.12 38.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.55 115.74 8.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -174.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 54.33 38.69 29.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.833 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 2.95 86.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.383 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 37.6 mm -113.43 128.14 70.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.903 0.383 . . . . 0.0 110.247 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD23 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -100.76 108.79 20.71 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 m -108.0 146.63 32.24 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.7 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -116.18 146.12 42.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.916 0.389 . . . . 0.0 110.022 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.488 ' CD2' HG22 ' A' ' 36' ' ' VAL . 72.8 m-85 -136.57 169.71 17.25 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.64 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.86 -38.43 91.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.025 0.44 . . . . 0.0 110.191 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.449 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 13.7 p -172.06 -173.26 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.031 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -56.34 -45.49 80.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.39 -33.49 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.035 -177.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HB3' ' H ' ' A' ' 32' ' ' SER . 32.5 t70 -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.006 -177.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 30' ' ' TYR . 95.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.27 0.557 . . . . 0.0 110.074 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 8.8 p . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -112.09 120.47 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.314 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HB3' HG12 ' A' ' 48' ' ' VAL . 31.9 ttmt -77.8 116.51 18.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.735 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.425 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -64.16 -30.84 71.88 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -9.76 54.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.655 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.915 HG13 HD13 ' A' ' 65' ' ' ILE . 9.8 p -126.2 1.21 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.223 0.535 . . . . 0.0 110.463 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.698 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.6 t -129.94 131.45 45.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -175.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.68 ' HB2' HG23 ' A' ' 64' ' ' ILE . 20.3 mt-10 -88.92 132.26 34.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.574 HG13 HG23 ' A' ' 53' ' ' VAL . 1.2 tp -98.61 119.59 46.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 165.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -84.24 106.95 16.26 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.397 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 51' ' ' ILE . 96.2 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.784 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.857 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 21.8 p . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -73.14 116.24 13.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.0 156.95 38.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.111 0.481 . . . . 0.0 111.17 165.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -121.01 143.81 48.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.481 -174.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.76 121.91 45.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.409 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -124.38 117.01 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.318 0.58 . . . . 0.0 110.779 -178.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.915 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.08 119.63 18.89 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.525 -178.274 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.615 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.2 Cg_exo -55.97 121.69 10.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.567 2.178 . . . . 0.0 111.659 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.4 -55.23 0.7 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -114.62 -65.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.512 ' HB2' HD12 ' A' ' 64' ' ' ILE . 9.3 pt20 52.77 -173.14 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 60.77 50.22 5.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.916 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.84 111.55 24.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.376 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -99.91 129.64 46.01 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.594 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 86.7 mtp -124.56 136.48 54.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.154 0.502 . . . . 0.0 109.841 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -132.5 127.01 34.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.9 177.72 8.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.862 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 t -59.91 -60.48 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.665 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.421 ' ND2' ' HG2' ' A' ' 80' ' ' GLU . 12.0 p30 -136.39 178.3 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.11 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -49.8 -47.61 51.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.98 0.512 . . . . 0.0 112.275 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.15 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.862 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 13.3 mm-40 -63.97 -38.46 91.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.353 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.857 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 10.7 ttt180 -59.26 -44.32 92.42 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.546 173.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 86' ' ' VAL . 57.5 tp60 -59.87 -33.01 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.553 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -63.35 -46.18 87.73 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.138 0.494 . . . . 0.0 110.409 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.494 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.5 m95 -65.07 -37.71 88.43 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.811 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.617 HD13 ' HG2' ' A' ' 81' ' ' ARG . 6.3 mp -63.11 -32.1 73.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.507 178.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.55 -51.84 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.853 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.34 22.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.995 0.426 . . . . 0.0 111.896 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 84' ' ' TRP . 44.7 mt -72.84 -39.98 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.593 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.85 -30.67 77.63 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.889 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -63.98 -28.41 69.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 50.1 m -70.14 -49.66 48.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.743 174.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.456 ' HE2' ' HB ' ' A' ' 53' ' ' VAL . 17.3 ttpp -56.84 -42.64 80.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.481 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.405 -177.641 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.5 t80 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -139.95 141.14 36.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.129 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.21 151.42 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.56 -170.26 33.49 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.04 160.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 117.309 0.554 . . . . 0.0 110.425 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' HG2' ' A' ' 73' ' ' MET . 3.0 mm? -135.26 150.97 50.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.199 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.765 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -74.61 120.08 19.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.065 172.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -113.78 117.56 31.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -67.9 131.48 45.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.818 0.342 . . . . 0.0 110.177 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -114.12 -79.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.53 162.25 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -63.09 -29.57 70.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.419 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.27 -40.75 64.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 111.588 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -88.08 -24.63 23.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.711 -177.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 -122.14 5.96 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.009 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.765 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.6 p-90 -108.75 144.08 37.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -177.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -130.86 122.76 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.987 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.35 131.05 14.64 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.67 2.247 . . . . 0.0 112.032 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -133.05 160.15 37.99 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -93.44 123.7 36.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.137 0.494 . . . . 0.0 110.268 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 55.8 m-85 -121.25 145.25 48.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.698 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 m -135.28 138.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.009 0.433 . . . . 0.0 110.424 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.521 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -100.57 118.78 37.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -134.63 106.6 7.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.001 0.905 . . . . 0.0 111.286 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 53.39 60.14 3.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.118 172.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.81 -8.7 58.98 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.772 -0.728 . . . . 0.0 114.055 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.89 136.21 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 117.495 0.648 . . . . 0.0 110.278 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 HD23 ' A' ' 22' ' ' LEU . 3.2 tm? -102.86 110.21 22.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -107.6 130.63 54.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.579 0.704 . . . . 0.0 111.364 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 31.2 p90 -100.67 140.99 34.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.022 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.9 m-85 -136.41 159.05 42.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.15 0.5 . . . . 0.0 110.024 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -76.21 -23.21 54.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.503 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.489 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 14.4 t -158.22 -174.08 4.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.881 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.49 -52.74 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.36 -21.53 66.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.76 0.791 . . . . 0.0 110.366 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' HB3' ' H ' ' A' ' 32' ' ' SER . 27.0 t70 -67.03 -20.81 65.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.837 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.604 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 97.0 t . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 121.124 0.487 . . . . 0.0 111.132 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 121.389 0.614 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.472 HG23 ' SG ' ' A' ' 49' ' ' CYS . 77.4 mt -111.82 120.72 62.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.184 -176.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 25.9 ttmt -83.91 103.65 13.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.943 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.6 mmm -57.98 -26.17 61.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.363 . . . . 0.0 111.707 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.37 -13.79 62.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.8 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -126.1 2.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.512 0.672 . . . . 0.0 109.971 176.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.906 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 37.5 m -127.87 117.96 22.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.818 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' ILE . 2.0 mp0 -87.35 135.26 33.39 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.414 0.626 . . . . 0.0 110.706 -176.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.682 HG13 HG23 ' A' ' 53' ' ' VAL . 1.9 tp -98.39 118.85 45.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 25.5 mmmt -85.07 107.75 17.32 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.433 0.635 . . . . 0.0 109.726 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.682 HG23 HG13 ' A' ' 51' ' ' ILE . 63.9 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.697 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.668 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 67.6 p . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -118.86 98.11 6.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.916 0.389 . . . . 0.0 111.202 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.465 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.3 mpp? -134.65 156.6 48.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 52' ' ' LYS . 28.2 tt0 -127.1 136.89 52.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -109.24 121.08 44.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -123.55 118.62 54.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 121.236 0.541 . . . . 0.0 110.918 -179.049 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.906 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -126.01 116.84 23.96 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.794 177.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.601 ' HD2' HD12 ' A' ' 65' ' ' ILE . 31.3 Cg_exo -59.0 113.22 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.959 2.439 . . . . 0.0 112.101 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.58 -59.89 0.68 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.861 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.52 -59.42 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 65' ' ' ILE . 25.5 pt20 45.04 -157.32 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.152 0.981 . . . . 0.0 113.188 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 t60 68.7 43.88 1.24 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.521 0.677 . . . . 0.0 110.154 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -117.0 112.09 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.485 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -105.64 142.55 35.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.442 ' HG2' ' HG ' ' A' ' 5' ' ' LEU . 19.9 mtt -121.75 137.85 54.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.117 0.484 . . . . 0.0 111.428 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.699 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 32.2 tttm -140.72 120.63 13.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 169.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.51 -178.23 6.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.765 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.5 t -60.83 -61.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 110.474 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.12 164.4 30.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.659 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.05 -40.94 15.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.58 98.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 0.0 111.684 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.765 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 9.5 mm-40 -60.96 -39.26 88.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.349 0.595 . . . . 0.0 109.761 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.668 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.3 ttp180 -57.75 -44.63 86.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.454 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.539 ' HB2' HH21 ' A' ' 81' ' ' ARG . 27.4 tp60 -61.97 -35.06 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.652 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -65.02 -44.63 88.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.594 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.408 ' HB3' HD12 ' A' ' 88' ' ' LEU . 91.5 m95 -62.88 -39.92 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.204 0.526 . . . . 0.0 110.129 173.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.532 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.5 mp -60.88 -32.85 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.82 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 82' ' ' GLN . 56.6 t -65.88 -51.59 59.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.558 0.218 . . . . 0.0 111.074 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.44 -49.16 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.607 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.1 mt -72.2 -37.02 69.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.049 0.452 . . . . 0.0 110.681 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.17 74.62 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.889 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -57.12 -41.23 78.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.5 t -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.781 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 22.1 ttpt -58.06 -40.55 81.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.023 0.439 . . . . 0.0 111.547 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.585 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.131 -177.83 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.605 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.44 145.89 37.57 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.047 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -157.6 149.14 21.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.735 0.302 . . . . 0.0 110.274 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.38 -167.96 35.79 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.464 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -113.75 160.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 117.636 0.718 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.5 mm? -135.29 158.45 44.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.933 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.726 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -71.39 99.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -98.62 118.28 34.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -69.8 132.21 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.597 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -116.2 -73.03 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.068 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -143.33 161.53 38.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -63.42 -26.26 68.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.832 0.349 . . . . 0.0 111.086 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.78 -41.57 62.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.39 . . . . 0.0 111.462 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -88.59 -24.12 22.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.992 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.2 -116.2 4.27 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.143 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.709 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.1 p-90 -111.0 144.95 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.833 0.349 . . . . 0.0 110.169 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -131.56 124.01 19.76 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.94 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.9 130.2 28.5 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.337 2.025 . . . . 0.0 111.524 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -132.82 150.71 52.13 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.405 ' H ' ' HD3' ' A' ' 18' ' ' ARG . 49.2 t-105 -94.21 126.2 39.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.22 0.533 . . . . 0.0 110.503 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD1' HD23 ' A' ' 5' ' ' LEU . 96.3 m-85 -126.04 148.52 49.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.851 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HD22 ' A' ' 27' ' ' LEU . 31.3 m -131.34 135.8 58.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 3.1 tm? -103.12 119.79 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 174.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 107.72 5.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.659 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.5 39.27 30.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.979 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 -3.16 82.1 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.728 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mm -107.57 131.46 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.788 0.328 . . . . 0.0 110.17 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 22' ' ' LEU . 2.1 tm? -108.25 109.87 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -109.79 144.5 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.79 0.328 . . . . 0.0 111.017 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -106.98 140.02 40.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.156 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 71.6 m-85 -138.23 156.23 47.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.146 0.498 . . . . 0.0 110.535 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -75.99 -28.29 57.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.086 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.478 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 40.5 p -158.47 178.39 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -66.28 -31.97 73.09 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.407 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' H ' ' A' ' 32' ' ' SER . 31.9 t70 -68.68 -19.36 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.599 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.441 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 92.8 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.482 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 71.8 mt -110.8 121.18 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.052 0.453 . . . . 0.0 109.937 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -85.5 112.2 20.69 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.014 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 90.6 mmm -66.83 -28.08 68.07 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.359 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -15.53 59.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.743 0.306 . . . . 0.0 111.526 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 65' ' ' ILE . 9.3 p -125.44 4.85 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.622 0.725 . . . . 0.0 110.057 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.771 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 18.7 t -125.39 128.32 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.607 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.581 ' HB2' HG23 ' A' ' 64' ' ' ILE . 8.1 mt-10 -89.31 132.89 34.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.459 0.647 . . . . 0.0 111.314 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.607 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -97.64 123.02 49.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 168.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 9.5 mmmm -84.99 108.12 17.45 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.841 -171.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.607 HG23 HG13 ' A' ' 51' ' ' ILE . 94.0 t . . . . . 0 N--CA 1.447 -0.602 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.867 -178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.902 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 19.8 p . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 110.884 -0.043 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.551 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 17.2 ptt180 36.01 99.86 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.618 ' HG3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -138.69 157.54 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.597 173.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -111.02 143.86 41.05 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.996 0.427 . . . . 0.0 111.789 -167.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -117.1 122.13 43.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.49 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -123.67 115.73 46.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.798 0.809 . . . . 0.0 110.791 -178.69 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.09 119.13 15.49 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.141 -177.439 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.579 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.5 Cg_exo -60.29 108.39 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.206 1.938 . . . . 0.0 111.823 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.24 -66.3 0.51 Allowed Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.993 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -97.9 -63.02 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.579 ' H ' HG23 ' A' ' 65' ' ' ILE . 12.2 pt20 49.22 -168.65 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.462 1.105 . . . . 0.0 113.092 176.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 64.93 27.87 12.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.321 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -93.73 111.49 23.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.405 0.622 . . . . 0.0 110.349 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.61 121.13 44.36 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.478 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 76.5 mtp -121.67 137.07 54.9 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.044 0.45 . . . . 0.0 109.951 -175.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.726 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 40.2 ttmt -132.27 129.46 39.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.23 177.33 6.91 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.261 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.873 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 63.7 t -58.67 -59.09 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.423 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.6 p30 -136.99 176.8 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.187 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -51.06 -42.99 60.9 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 83' ' ' ARG . . . -64.33 -41.97 96.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.958 0.408 . . . . 0.0 110.997 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.873 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 22.0 mm-40 -61.43 -39.62 91.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.468 0.652 . . . . 0.0 110.072 176.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.902 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.2 ttp180 -58.54 -44.28 89.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.73 174.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.3 tp60 -62.27 -32.86 73.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.806 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 79' ' ' ALA . 54.2 mtp180 -63.03 -45.89 90.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.287 0.565 . . . . 0.0 110.726 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -67.82 -36.38 80.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 61' ' ' MET . 5.9 mp -66.98 -30.24 70.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.797 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.1 t -64.2 -51.25 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.964 -0.46 . . . . 0.0 111.011 172.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.72 -49.18 41.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 111.337 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.29 -39.31 65.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.639 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 85' ' ' LEU . . . -65.25 -29.57 75.61 Favored Glycine 0 CA--C 1.511 -0.201 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.169 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.0 p -60.47 -31.34 70.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.314 0.578 . . . . 0.0 109.495 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -70.68 -36.24 73.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.695 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -68.91 -22.9 64.13 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.085 0.469 . . . . 0.0 110.474 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.461 175.089 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 76.3 t80 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt -140.21 144.58 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.829 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.639 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -148.23 158.43 44.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.915 0.388 . . . . 0.0 111.617 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.27 -167.44 32.9 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.491 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -115.88 159.39 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.771 0.786 . . . . 0.0 110.932 179.143 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -134.96 154.08 51.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.372 177.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 2.8 m-85 -72.47 101.56 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.004 174.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 20.4 tptm -102.44 119.77 39.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.846 0.355 . . . . 0.0 110.646 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.431 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 65.7 t-105 -69.39 132.73 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 p -116.28 -72.54 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.76 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -136.11 156.8 48.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -67.19 -22.64 65.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.884 0.373 . . . . 0.0 110.566 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.85 -41.69 64.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -91.26 -24.66 19.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.16 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.75 -124.4 6.49 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.483 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.6 p-90 -101.57 145.7 28.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -131.37 123.89 19.86 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.095 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.86 125.57 13.92 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.451 2.101 . . . . 0.0 111.94 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 18' ' ' ARG . 8.8 mmt180 -124.36 151.37 44.45 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.072 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -93.79 119.85 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.072 0.463 . . . . 0.0 109.889 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.3 m-85 -117.77 150.4 39.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.706 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.639 HG12 ' HB3' ' A' ' 2' ' ' GLU . 34.2 m -133.45 134.43 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.918 0.39 . . . . 0.0 110.328 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -104.52 119.66 39.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.89 115.81 7.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 54.46 40.83 32.1 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.46 174.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.4 3.73 86.58 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.145 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -113.2 129.96 67.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.339 -0.506 . . . . 0.0 110.575 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 22' ' ' LEU . 2.4 tm? -107.2 110.62 22.73 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -109.95 145.22 37.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.327 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -111.25 138.28 47.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.339 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 36' ' ' VAL . 97.0 m-85 -129.1 178.1 6.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.98 -38.53 32.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.344 0.592 . . . . 0.0 110.001 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.5 p -169.75 -174.5 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.871 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.1 -39.22 94.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.54 -36.64 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.243 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.8 -19.5 60.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.581 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.558 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 92.5 t . . . . . 0 CA--C 1.518 -0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.777 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.72 120.11 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 110.223 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.19 117.23 21.55 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.165 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.8 mtp -65.23 -30.24 71.11 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.651 0.262 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.69 -10.21 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.814 HG13 HD13 ' A' ' 65' ' ' ILE . 7.3 p -125.36 0.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 109.913 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.739 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.1 t -130.82 123.81 29.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.146 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.583 ' HB2' HG23 ' A' ' 64' ' ' ILE . 36.1 mt-10 -87.71 140.44 29.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.398 0.618 . . . . 0.0 110.588 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.703 HG23 ' HB2' ' A' ' 92' ' ' LYS . 2.0 tp -99.78 121.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 171.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HE3' HG21 ' A' ' 64' ' ' ILE . 21.5 mmtp -84.23 108.81 17.32 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -172.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.622 HG23 HG13 ' A' ' 51' ' ' ILE . 55.2 t . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.364 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' HG2' ' A' ' 74' ' ' LYS . 38.9 p . . . . . 0 CA--C 1.528 0.132 0 N-CA-C 110.939 -0.023 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.48 94.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.566 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.7 mpp? -136.29 148.06 47.79 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.967 0.413 . . . . 0.0 110.597 176.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.51 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.2 tt0 -120.27 142.77 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.413 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.49 122.23 46.61 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.842 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -125.26 115.1 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.459 0.647 . . . . 0.0 111.199 -176.696 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.814 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.12 116.55 18.89 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.662 178.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.662 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.8 Cg_exo -54.02 123.14 12.76 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.345 2.696 . . . . 0.0 113.171 -173.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.98 -54.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -99.8 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 43.92 -154.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.9 t60 69.85 39.76 1.4 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.756 0.789 . . . . 0.0 109.329 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -115.22 112.15 22.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -108.54 134.3 51.5 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.629 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 87.3 mtp -131.23 135.96 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 17.2 ttpp -135.64 126.49 27.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.5 178.6 6.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.583 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.758 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.9 t -63.44 -60.91 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.621 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 80' ' ' GLU . 8.7 p30 -138.77 171.22 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.08 -40.13 22.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -174.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.88 97.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.054 0.454 . . . . 0.0 111.324 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.758 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 57.1 mm-40 -63.23 -36.33 83.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.615 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HG2' ' SD ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -57.28 -41.8 80.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.769 174.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.488 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.9 tp60 -67.82 -33.53 74.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.844 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.1 -44.78 95.91 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.307 0.575 . . . . 0.0 110.777 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.53 ' HB3' HD12 ' A' ' 88' ' ' LEU . 91.2 m95 -68.37 -35.52 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.1 mp -61.82 -32.16 72.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.494 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.5 t -63.28 -51.41 71.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.625 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.42 -50.43 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.557 -0.457 . . . . 0.0 112.078 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 84' ' ' TRP . 29.1 mt -72.96 -43.04 62.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.601 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.23 -30.17 73.2 Favored Glycine 0 C--O 1.234 0.147 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.733 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.2 t -57.57 -42.63 83.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.436 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 35.8 t -69.71 -33.12 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.901 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.703 ' HB2' HG23 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -66.08 -33.44 75.8 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-O 121.431 0.634 . . . . 0.0 110.402 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.816 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.094 -175.574 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 121.351 0.596 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.95 144.55 35.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.883 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.3 153.17 35.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.649 0.262 . . . . 0.0 110.661 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.66 -161.27 33.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.885 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 17' ' ' PRO . 2.2 t -121.46 133.95 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.707 0.289 . . . . 0.0 110.964 -174.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.4 mm? -120.49 152.61 37.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.686 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.6 m-85 -71.8 99.04 2.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.457 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -98.76 115.73 29.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.132 0.491 . . . . 0.0 110.046 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -71.63 135.18 46.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.014 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 p -112.53 -85.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.17 176.97 7.93 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -75.34 -32.1 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.508 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.75 -40.9 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 111.396 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.6 p -85.75 -25.35 26.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.748 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.43 -126.75 7.76 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.383 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.667 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.5 p-90 -108.49 148.82 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -130.86 125.93 21.53 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.776 ' HB2' HG11 ' A' ' 4' ' ' VAL . 91.5 Cg_endo -72.64 99.15 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.026 1.818 . . . . 0.0 111.51 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -90.35 152.79 20.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.736 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -93.63 116.91 29.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CD1' HD23 ' A' ' 5' ' ' LEU . 89.0 m-85 -111.69 149.3 31.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.23 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' HD22 ' A' ' 27' ' ' LEU . 34.4 m -134.16 135.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.521 176.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -103.75 121.3 42.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -145.42 110.06 5.05 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.403 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.32 52.42 11.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.567 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.24 3.59 76.78 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.525 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -115.58 132.43 65.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 122.411 -0.464 . . . . 0.0 110.585 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 22' ' ' LEU . 2.9 tm? -110.82 110.83 21.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 m -110.34 148.64 31.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.84 0.352 . . . . 0.0 110.98 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -115.27 136.0 53.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.488 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.6 m-85 -130.68 166.82 19.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.567 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.25 -38.62 75.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 66.8 m -165.79 -176.24 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -64.4 -36.64 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.098 0.408 . . . . 0.0 110.495 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.13 -33.03 71.58 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 110.958 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' HB3' ' H ' ' A' ' 32' ' ' SER . 34.4 t70 -78.19 -15.51 58.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.623 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.488 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 71.1 t . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.42 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.0 mt -111.12 122.37 65.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 110.485 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -81.12 115.49 20.58 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.641 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.508 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.5 mtp -65.29 -28.43 69.32 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.68 -10.55 59.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.85 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.39 0.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.594 0.712 . . . . 0.0 109.975 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.697 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -126.79 130.46 50.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.646 -175.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.673 ' HB2' HG23 ' A' ' 64' ' ' ILE . 39.5 mt-10 -88.37 134.31 33.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.17 0.509 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.595 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -99.11 118.95 46.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 168.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 11.5 mmmm -83.69 106.86 15.74 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.67 0.748 . . . . 0.0 109.72 -170.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.595 HG23 HG13 ' A' ' 51' ' ' ILE . 77.7 t . . . . . 0 C--N 1.318 -0.774 0 CA-C-N 114.321 -1.308 . . . . 0.0 108.741 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.6 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.6 p . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -124.34 97.06 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.579 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.483 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -140.49 149.59 42.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.773 178.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 21.3 tt0 -131.43 140.05 49.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.996 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.64 120.76 43.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.73 ' HA ' ' HG3' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -124.84 115.07 43.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.743 0.782 . . . . 0.0 111.325 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.85 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -125.76 118.28 24.3 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.096 177.204 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.748 ' HD2' HD12 ' A' ' 65' ' ' ILE . 76.3 Cg_exo -51.71 125.92 18.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.099 2.532 . . . . 0.0 113.068 -174.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.85 -46.48 1.22 Allowed Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.07 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HB2' ' H ' ' A' ' 69' ' ' GLN . 26.0 mt-10 -100.88 -89.31 0.35 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.622 0.248 . . . . 0.0 110.613 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.73 ' HG3' ' HA ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER 56.65 -145.33 0.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.264 177.049 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.636 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 14.3 t-160 61.59 34.16 17.9 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.49 0.716 . . . . 0.0 109.9 -172.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.93 112.05 23.25 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.434 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -110.37 138.48 46.7 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.8 mtt -122.45 137.56 54.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.362 0.601 . . . . 0.0 111.755 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.686 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 56.9 tttm -139.73 126.55 20.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 168.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -84.55 -177.95 6.75 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.204 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.898 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.4 t -62.15 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.19 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.436 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 32.4 p30 -136.94 172.77 12.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.331 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -45.44 -43.44 11.38 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.12 95.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.958 0.409 . . . . 0.0 111.089 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.898 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 14.0 mm-40 -61.53 -40.34 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.467 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.6 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 25.3 ttp180 -57.67 -42.92 84.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.625 175.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.8 tp60 -64.51 -35.16 80.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.134 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -64.4 -44.84 90.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.542 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.3 m95 -67.14 -37.5 83.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.265 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 81' ' ' ARG . 4.6 mp -60.59 -33.15 72.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.419 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.6 t -64.09 -51.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.054 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -49.9 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.078 0.466 . . . . 0.0 111.676 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' A' ' 51' ' ' ILE . 28.4 mt -72.78 -44.16 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.636 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.7 86.29 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.751 -174.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.2 t -64.59 -27.68 69.11 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.1 t -69.85 -42.83 73.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.133 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -60.89 -30.87 70.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.317 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.296 -178.416 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 35.1 t80 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.415 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.3 tpt -137.21 139.9 41.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.879 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -139.96 147.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.498 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.65 -178.88 28.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.49 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -106.38 156.52 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 117.259 0.53 . . . . 0.0 110.486 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -133.92 158.37 43.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.178 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.45 124.08 23.33 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.304 173.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -119.49 116.57 26.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -70.97 122.68 20.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -103.63 -79.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.914 0.387 . . . . 0.0 110.99 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.41 162.87 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -65.25 -26.85 68.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.596 0.236 . . . . 0.0 111.242 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.48 -41.97 62.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.597 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -86.01 -28.02 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.841 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.75 -86.8 1.51 Allowed Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.8 p-90 -152.99 154.19 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.612 0.244 . . . . 0.0 110.353 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 mm-40 -131.8 123.44 19.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.381 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 30.4 Cg_endo -63.03 114.98 2.68 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.722 2.281 . . . . 0.0 112.093 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -110.9 154.29 24.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.825 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -94.05 122.43 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.3 147.59 44.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.139 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.24 136.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 27' ' ' LEU . 2.7 tm? -101.98 119.96 39.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -139.9 108.19 5.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 52.12 60.91 3.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.643 173.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.82 -5.36 48.07 Favored Glycine 0 N--CA 1.454 -0.122 0 CA-C-N 116.164 -0.471 . . . . 0.0 113.876 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mm -111.64 133.15 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.961 0.41 . . . . 0.0 110.677 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -108.69 111.02 22.59 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -107.44 146.16 32.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.841 0.353 . . . . 0.0 110.979 -176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -115.0 135.55 54.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.674 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -130.77 161.28 32.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.743 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.73 -25.61 37.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.651 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 t -160.24 -174.07 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.636 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.58 -48.06 35.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.824 0.345 . . . . 0.0 110.75 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.17 -23.99 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.391 0.615 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -66.31 -21.59 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.676 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.867 178.594 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.45 -0.435 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.7 120.61 61.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.441 0.639 . . . . 0.0 110.372 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -83.0 108.7 16.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.641 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 90.3 mmm -63.63 -27.59 69.34 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.88 -15.58 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.846 HG13 HD13 ' A' ' 65' ' ' ILE . 8.0 p -124.95 1.29 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.139 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.693 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.3 t -126.88 127.69 45.33 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.405 -176.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.717 ' HB2' HG23 ' A' ' 64' ' ' ILE . 27.7 mt-10 -88.41 137.32 32.43 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.499 0.666 . . . . 0.0 111.252 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.631 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -98.86 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.768 ' HE2' HG21 ' A' ' 64' ' ' ILE . 31.2 mmtt -84.05 108.34 16.94 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.424 0.631 . . . . 0.0 110.143 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.631 HG23 HG13 ' A' ' 51' ' ' ILE . 87.6 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.173 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.633 ' HB ' ' HG3' ' A' ' 74' ' ' LYS . 72.6 p . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -145.31 97.4 2.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 111.455 -178.14 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.616 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.2 mpp? -140.84 156.35 46.15 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.152 -0.342 . . . . 0.0 110.344 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -134.23 137.92 44.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.322 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.6 mm? -108.38 120.93 43.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.768 HG21 ' HE2' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -122.93 116.01 47.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.485 0.659 . . . . 0.0 110.976 -177.769 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.846 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.7 119.2 14.87 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.883 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.617 ' HD2' HD12 ' A' ' 65' ' ' ILE . 31.6 Cg_exo -59.59 110.77 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.618 2.212 . . . . 0.0 111.927 -179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.95 -62.52 0.6 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -99.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.509 ' H ' HG23 ' A' ' 65' ' ' ILE . 2.7 pt20 47.61 -165.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.438 1.095 . . . . 0.0 112.969 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 65.55 36.69 6.42 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.872 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 85.5 m-85 -103.37 111.68 24.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.646 175.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.469 ' CD1' ' HE2' ' A' ' 6' ' ' TYR . 10.6 t80 -99.11 139.26 35.01 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.532 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 0.3 OUTLIER -120.2 135.43 54.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -175.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 83.7 tttt -147.54 120.84 8.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -81.5 -174.92 5.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.325 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.959 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 78.4 t -63.35 -57.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.489 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.456 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.0 p30 -142.63 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.167 177.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.02 -43.78 14.67 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.25 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.033 0.444 . . . . 0.0 111.201 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.959 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 7.5 mm-40 -61.37 -38.81 88.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.287 176.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.584 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.1 ttp180 -57.64 -41.23 80.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.787 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' VAL . 28.9 tp60 -65.17 -34.52 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 69.2 mtt180 -67.67 -43.83 79.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 111.306 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.515 ' CE2' HD21 ' A' ' 5' ' ' LEU . 95.2 m95 -67.21 -34.84 78.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 109.975 174.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 81' ' ' ARG . 4.8 mp -60.87 -33.21 72.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.624 175.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.7 t -64.97 -51.79 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.229 176.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.6 -50.75 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.978 0.418 . . . . 0.0 111.766 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 84' ' ' TRP . 26.8 mt -74.96 -45.38 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.161 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.55 84.59 Favored Glycine 0 C--O 1.233 0.08 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.266 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 p -67.32 -25.53 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 110.45 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.1 t -67.22 -38.39 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.107 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -68.11 -29.32 68.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.848 0.356 . . . . 0.0 111.04 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.523 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -178.308 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.448 -0.569 0 CA-C-O 121.045 0.45 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.11 137.58 34.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -148.66 151.45 34.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.644 0.259 . . . . 0.0 110.694 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.12 -176.62 36.8 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.505 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.73 152.15 9.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 117.576 0.688 . . . . 0.0 110.23 179.543 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.62 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -132.06 157.97 42.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.695 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -75.17 98.51 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.18 176.185 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 18.0 tptm -98.51 116.71 31.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.03 0.443 . . . . 0.0 110.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.446 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 46.8 t-105 -64.88 124.33 21.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.471 173.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -108.15 -73.03 0.7 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -134.31 161.56 34.63 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -66.48 -23.83 66.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.94 -41.66 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.227 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -90.36 -25.73 20.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.748 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.9 -91.42 1.5 Allowed Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.695 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.7 p-90 -136.56 151.86 49.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.776 0.322 . . . . 0.0 110.391 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -131.35 123.39 19.56 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.365 174.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.41 95.72 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.3 tpp180 -108.27 160.46 15.83 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -93.36 124.41 37.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 -171.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 80.4 m-85 -121.12 148.2 44.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.672 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG22 ' HE1' ' A' ' 30' ' ' TYR . 29.6 m -136.02 138.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 27' ' ' LEU . 1.1 tm? -102.04 120.56 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -136.19 107.98 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.406 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 52.72 46.63 26.36 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.038 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.92 -1.76 86.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.125 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.19 128.2 70.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 122.42 -0.459 . . . . 0.0 110.389 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -100.78 110.46 22.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.7 m -111.9 139.76 47.11 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.687 -175.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 33.0 p90 -107.59 138.95 42.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.632 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 90.1 m-85 -128.35 164.73 22.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.775 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.525 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 22.4 t70 -70.86 -36.71 72.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.214 0.531 . . . . 0.0 110.086 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.488 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 22.7 t -153.71 -175.07 5.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.786 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -72.75 -40.58 65.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.838 0.352 . . . . 0.0 110.289 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.67 -27.34 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.418 0.628 . . . . 0.0 110.76 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.488 ' HB3' ' H ' ' A' ' 32' ' ' SER . 37.4 t70 -68.32 -20.72 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.645 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.632 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 99.2 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.76 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.23 122.26 65.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.321 0.582 . . . . 0.0 110.747 -175.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -81.09 115.6 20.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.404 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.4 mtp -65.12 -30.92 71.89 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 111.19 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.14 -10.27 48.46 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.904 HG13 HD13 ' A' ' 65' ' ' ILE . 9.8 p -125.87 2.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.701 0.762 . . . . 0.0 110.159 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.577 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.5 t -124.54 129.77 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.511 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.68 129.46 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.963 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.639 HG13 HG23 ' A' ' 53' ' ' VAL . 1.9 tp -98.41 115.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 170.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -85.35 107.52 17.39 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.921 -0.711 . . . . 0.0 109.431 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.639 HG23 HG13 ' A' ' 51' ' ' ILE . 78.9 t . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.304 -175.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.774 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 30.2 p . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -96.36 106.65 18.91 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.857 -0.527 . . . . 0.0 110.899 -173.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.641 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 0.3 OUTLIER -142.71 148.66 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.8 141.58 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.539 0.209 . . . . 0.0 110.589 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 51' ' ' ILE . 4.5 mm? -113.96 121.37 43.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.73 116.04 46.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.503 0.668 . . . . 0.0 111.129 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.904 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.82 116.09 16.96 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 114.847 -1.07 . . . . 0.0 108.955 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.582 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.9 Cg_exo -54.29 116.65 3.21 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.073 2.516 . . . . 0.0 112.669 -176.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.24 -60.83 0.58 Allowed Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.324 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.62 -68.53 0.8 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.453 ' H ' HG23 ' A' ' 65' ' ' ILE . 13.7 pt20 46.73 -165.44 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.458 1.103 . . . . 0.0 113.736 172.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.1 t60 67.63 32.93 5.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.981 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -100.8 112.87 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.924 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -94.08 140.52 29.64 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.641 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 1.3 tpt -121.52 137.08 54.88 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.695 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 35.3 tttp -153.24 122.66 6.69 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.25 7.85 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.481 -177.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.482 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 66.4 t -56.57 -55.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.092 0.472 . . . . 0.0 110.772 -179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.478 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -140.38 174.01 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.263 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -53.29 -40.71 64.94 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -63.64 -43.64 96.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 177.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.482 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 50.7 mm-40 -62.72 -34.37 77.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.705 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.774 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -57.05 -42.49 80.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.717 172.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.6 tp60 -62.63 -33.82 75.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 -177.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.19 -45.79 86.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.185 0.516 . . . . 0.0 110.474 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.573 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -67.33 -36.01 80.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.036 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -61.45 -32.19 72.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.604 177.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.8 t -64.13 -51.76 64.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.994 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.79 21.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.107 0.48 . . . . 0.0 111.803 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 46' ' ' MET . 28.5 mt -72.2 -43.64 64.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.51 -29.71 75.9 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.425 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.8 t -60.74 -32.27 71.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.3 t -70.34 -38.44 74.87 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.442 176.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 51' ' ' ILE . 20.7 tttp -63.7 -22.13 66.74 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.776 176.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.912 0.387 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt -140.02 140.06 36.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.137 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.23 155.36 49.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.808 0.337 . . . . 0.0 110.599 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.12 29.63 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.472 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.6 159.62 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.119 0.46 . . . . 0.0 110.398 179.041 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.472 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -135.07 152.63 51.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.494 -0.775 . . . . 0.0 108.955 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.716 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.53 119.83 15.27 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 170.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -110.47 118.74 37.07 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.517 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -73.07 105.46 4.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -83.75 -75.04 0.35 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.095 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -142.17 158.59 43.56 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -67.14 -20.08 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.109 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.2 -40.55 64.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.024 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p -84.89 -44.77 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.14 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.41 -123.92 8.08 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.864 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.664 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -104.77 133.88 48.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 -178.574 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -131.0 124.32 20.51 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.05 129.78 14.61 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.496 2.131 . . . . 0.0 112.279 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 31.0 mmt180 -131.18 159.9 36.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.248 176.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -94.38 126.59 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 110.47 -173.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 94.9 m-85 -127.54 145.92 50.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.754 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.437 HG22 ' HE2' ' A' ' 30' ' ' TYR . 23.4 m -135.81 138.07 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.763 0.316 . . . . 0.0 110.471 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -101.84 120.06 39.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -138.61 110.52 7.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.627 0.727 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.31 56.64 6.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.124 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 3.87 59.36 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.609 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -114.64 129.51 70.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 122.385 -0.48 . . . . 0.0 110.16 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.459 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.12 108.61 20.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.3 p -108.84 147.97 31.3 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.765 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.457 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 13.2 p90 -118.59 141.08 48.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.344 -177.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.488 ' CE1' ' HA ' ' A' ' 36' ' ' VAL . 84.3 m-85 -128.57 169.98 13.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.362 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -76.62 -38.79 54.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.004 0.43 . . . . 0.0 110.46 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.443 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 49.2 m -150.74 -177.83 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.693 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.21 -48.13 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.178 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.66 -26.34 65.46 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.527 0.68 . . . . 0.0 111.291 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HB3' ' H ' ' A' ' 32' ' ' SER . 34.9 t70 -69.16 -14.34 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.858 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.488 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 78.0 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 178.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.982 0.42 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -112.93 120.72 63.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HG2' HG12 ' A' ' 48' ' ' VAL . 27.7 ttmt -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.436 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -64.67 -31.08 72.14 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.941 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.43 -13.78 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 65' ' ' ILE . 9.7 p -125.03 0.69 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.463 0.649 . . . . 0.0 110.236 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.77 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.9 t -129.25 124.5 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.3 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.577 ' HB2' HG23 ' A' ' 64' ' ' ILE . 44.9 mt-10 -88.05 134.54 33.72 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.074 0.464 . . . . 0.0 110.524 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.599 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -98.67 119.26 46.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HG3' ' OE1' ' A' ' 62' ' ' GLU . 4.8 mmmm -85.42 107.48 17.41 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.606 0.717 . . . . 0.0 110.057 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.599 HG23 HG13 ' A' ' 51' ' ' ILE . 98.5 t . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.673 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.672 HG22 ' HB3' ' A' ' 75' ' ' ALA . 21.7 p . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -163.43 98.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.528 . . . . 0.0 111.599 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.601 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.7 mpp? -135.16 151.51 50.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.5 tt0 -123.23 136.17 54.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.574 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.39 120.13 41.52 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.577 HG23 ' HB2' ' A' ' 50' ' ' GLU . 1.1 tp -122.49 115.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.605 0.717 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.903 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -132.7 119.57 16.15 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.825 -1.079 . . . . 0.0 108.798 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.698 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.0 Cg_exo -54.16 135.63 65.14 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.823 2.349 . . . . 0.0 112.63 -178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.72 -44.37 1.95 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.292 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.8 mt-10 -107.95 -74.39 0.66 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.588 ' H ' HG23 ' A' ' 65' ' ' ILE . 2.4 pt20 46.38 -158.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.368 1.067 . . . . 0.0 112.645 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 68.4 29.07 5.93 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.909 0.861 . . . . 0.0 109.804 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -107.55 110.52 22.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.282 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -111.43 143.5 42.16 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 mtt -121.97 136.99 54.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 111.41 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.716 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 16.1 ttpp -136.96 119.23 15.62 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.84 -174.84 3.22 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.683 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.686 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 58.8 t -62.76 -61.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.975 0.417 . . . . 0.0 109.984 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.455 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.2 p-10 -140.44 167.73 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.746 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.33 -41.42 28.32 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.7 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.489 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.686 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 56.1 mm-40 -64.09 -36.22 83.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.601 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 5.3 ttp180 -57.24 -41.02 78.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.002 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.2 tp60 -63.08 -33.36 75.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.648 -177.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -63.88 -45.81 87.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.35 0.595 . . . . 0.0 110.188 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.544 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.8 m95 -67.52 -35.62 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.235 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -61.67 -33.19 73.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.24 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.9 t -63.05 -51.12 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.971 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.74 18.57 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' A' ' 84' ' ' TRP . 35.8 mt -72.27 -43.43 64.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.677 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.48 -29.05 65.82 Favored Glycine 0 C--N 1.329 0.15 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.174 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -55.77 -40.55 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.947 0.403 . . . . 0.0 110.477 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 33.3 t -70.22 -44.12 69.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.054 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -57.92 -39.04 77.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.289 0.566 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.855 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.546 179.554 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 87.4 t80 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.799 0.333 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -135.19 140.67 45.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.128 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.24 150.85 45.98 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.106 0.254 . . . . 0.0 110.486 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.47 -163.59 29.96 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.418 HG12 ' CE3' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -121.82 160.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.259 0.529 . . . . 0.0 110.358 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.491 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -132.46 154.56 49.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.625 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -66.09 119.38 11.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.101 172.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -114.28 116.57 29.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.698 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -75.86 124.86 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -109.88 -72.96 0.7 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -142.37 160.54 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -69.57 -19.92 63.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.751 0.31 . . . . 0.0 110.865 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.28 -41.36 63.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -87.26 -33.28 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.607 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.79 -104.17 3.11 Favored Glycine 0 N--CA 1.441 -1.012 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.309 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 6' ' ' TYR . 8.2 p-90 -136.61 150.04 48.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 87.4 mt-30 -130.72 122.61 19.7 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 36.8 Cg_endo -66.25 108.34 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.575 2.183 . . . . 0.0 111.688 173.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.544 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.1 tpm_? -106.93 154.04 21.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.418 ' CE3' HG12 ' A' ' 4' ' ' VAL . 51.9 t-105 -94.0 131.96 38.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.042 0.448 . . . . 0.0 110.455 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.94 143.22 50.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.982 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.27 135.93 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.477 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 HD23 ' A' ' 27' ' ' LEU . 3.0 tm? -102.21 120.21 40.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.04 107.05 8.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.676 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 47.24 62.23 2.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 173.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 81.61 -7.81 60.84 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.133 -0.556 . . . . 0.0 114.403 176.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -117.14 132.16 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 118.088 0.944 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.516 HD23 HD23 ' A' ' 22' ' ' LEU . 3.3 tm? -107.49 110.93 22.98 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -107.53 148.57 29.06 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.985 -0.447 . . . . 0.0 111.153 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -121.55 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.986 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 95.8 m-85 -142.87 177.44 8.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.762 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.93 -39.13 51.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 111.218 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.526 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 6.0 p -157.3 -176.2 5.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -174.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -63.36 -51.38 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.589 -176.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -67.71 -27.94 67.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.264 0.554 . . . . 0.0 110.738 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.526 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.2 t70 -71.86 -6.3 40.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.129 -176.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.541 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 53.8 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.117 0.484 . . . . 0.0 111.004 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 121.54 0.686 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.2 mt -113.01 120.22 62.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.012 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.608 ' HB3' HG12 ' A' ' 48' ' ' VAL . 80.4 tttt -82.92 106.67 14.94 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 95.2 mmm -62.6 -26.87 68.82 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 120.903 0.382 . . . . 0.0 111.854 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.48 -8.77 57.87 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.824 HG13 HD13 ' A' ' 65' ' ' ILE . 6.8 p -124.97 2.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.707 0.765 . . . . 0.0 109.633 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.781 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -132.08 118.83 20.16 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.747 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' HB2' HG23 ' A' ' 64' ' ' ILE . 23.5 mp0 -85.93 137.15 32.95 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.471 0.653 . . . . 0.0 110.686 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.659 HD11 ' HB3' ' A' ' 61' ' ' MET . 1.4 tp -98.04 118.55 44.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -83.99 108.39 16.93 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.457 0.646 . . . . 0.0 109.41 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 51' ' ' ILE . 71.7 t . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 20.8 p . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -124.46 101.16 7.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.627 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.799 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.2 mpp? -140.31 147.32 39.72 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.42 132.47 51.49 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.902 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.0 119.38 38.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.85 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -123.17 114.95 44.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -178.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.824 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -122.16 110.93 32.43 Favored Pre-proline 0 N--CA 1.443 -0.798 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' A' ' 65' ' ' ILE . 46.3 Cg_exo -55.86 112.18 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.576 2.851 . . . . 0.0 113.043 -171.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.15 -64.77 0.6 Allowed Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.425 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 31.9 mt-10 -95.2 -58.34 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 10.1 pt20 43.91 -150.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.041 0.838 . . . . 0.0 112.8 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 73.98 36.36 0.71 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.661 0.743 . . . . 0.0 110.244 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -117.84 111.74 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.865 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.445 ' HD2' ' HE1' ' A' ' 6' ' ' TYR . 62.8 t80 -111.16 143.05 42.52 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.491 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 31.7 mtt -121.47 136.48 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.619 0.723 . . . . 0.0 111.527 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 71.1 tttt -142.43 120.69 12.27 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 171.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.99 179.05 8.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.009 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.601 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 95.4 t -57.05 -56.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.852 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.0 p-10 -143.58 166.08 25.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.362 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.98 -41.64 25.79 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.226 0.329 . . . . 0.0 111.879 -173.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.451 ' HB3' ' ND2' ' A' ' 77' ' ' ASN . . . -61.27 -43.02 99.56 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.013 0.435 . . . . 0.0 111.779 176.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.601 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 35.5 mm-40 -63.0 -32.25 73.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.799 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 25.5 ttt180 -57.92 -40.3 80.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.857 173.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.0 tp60 -61.66 -35.55 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.875 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -61.48 -46.25 90.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.794 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.497 ' HB3' HD12 ' A' ' 88' ' ' LEU . 97.0 m95 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.106 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.8 mp -62.56 -32.16 73.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.511 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.3 t -63.42 -51.3 72.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.676 176.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.53 15.59 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.885 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.2 mt -73.33 -39.61 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.905 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.4 77.43 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 121.306 -0.474 . . . . 0.0 112.593 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 m -61.52 -36.55 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.192 0.52 . . . . 0.0 109.834 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.8 t -69.46 -43.38 73.38 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.6 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.55 ' HB2' HG23 ' A' ' 51' ' ' ILE . 14.6 tttm -64.24 -37.43 87.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.805 179.726 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.173 -0.371 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.827 ' HB2' ' HG2' ' A' ' -1' ' ' GLU . 50.5 Cg_endo -70.33 121.45 8.02 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.545 2.163 . . . . 0.0 112.032 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -133.05 104.72 6.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.572 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 81.19 -58.46 4.84 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.175 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.0 t -62.33 140.78 96.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 C-N-CA 122.749 0.42 . . . . 0.0 110.279 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.79 127.76 22.18 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.163 2.576 . . . . 0.0 112.585 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.827 ' HG2' ' HB2' ' A' ' -6' ' ' PRO . 4.6 mt-10 -81.44 69.2 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.942 -175.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -125.95 137.67 53.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.215 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt -139.97 140.46 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.631 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.51 150.11 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.593 0.235 . . . . 0.0 110.452 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.0 -156.63 27.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.741 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.498 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.2 m -123.94 162.3 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 117.132 0.466 . . . . 0.0 110.623 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.54 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.6 mm? -136.47 154.0 50.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.533 176.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.703 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.4 OUTLIER -70.43 125.51 26.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.887 171.259 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -122.4 123.8 42.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.07 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -73.27 132.34 43.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.116 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 p -116.6 -71.23 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -145.84 164.12 32.92 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -70.0 -27.68 64.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.642 0.258 . . . . 0.0 111.061 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.55 -41.7 65.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.041 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.4 p -83.08 -28.84 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.216 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.55 -105.23 2.9 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.823 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.703 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 6.2 p-90 -132.23 144.98 51.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 65.2 mt-30 -131.14 122.87 19.43 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-O 120.559 0.219 . . . . 0.0 110.531 178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 39.5 Cg_endo -67.56 130.6 22.55 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.499 2.132 . . . . 0.0 111.781 174.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -126.21 154.77 42.81 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -92.94 129.14 38.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.142 -174.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 29' ' ' TYR . 97.7 m-85 -132.56 141.51 48.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.822 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.3 m -133.0 137.21 54.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 HD23 ' A' ' 27' ' ' LEU . 3.2 tm? -102.72 118.67 37.35 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -147.8 133.17 18.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.692 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 59.47 28.23 17.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.598 171.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 83.47 7.0 87.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -116.64 135.27 57.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.478 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.7 109.19 21.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 p -108.81 148.87 29.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.076 0.465 . . . . 0.0 111.506 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 34.0 p90 -115.55 143.14 45.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.669 -178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.617 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 87.2 m-85 -136.86 164.44 28.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.781 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.46 -37.17 63.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.239 0.542 . . . . 0.0 110.104 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.511 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 74.5 m -158.88 179.68 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.769 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -65.04 -44.78 87.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.951 0.405 . . . . 0.0 110.687 -178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.29 -33.37 72.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.533 . . . . 0.0 110.897 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.537 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 35.3 t70 -68.07 -24.62 65.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.921 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.617 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 72.1 t -60.48 -39.67 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.293 0.568 . . . . 0.0 110.548 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 72.4 m -71.73 -22.9 61.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.549 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 35.1 mmtt -70.09 -23.98 63.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.305 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.98 127.89 4.8 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.2 p -58.26 132.69 54.36 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.117 0.484 . . . . 0.0 112.118 -176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -92.24 -21.83 20.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.886 175.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.3 158.02 29.12 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m -151.5 162.58 40.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.979 0.389 . . . . 0.0 110.759 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.19 119.75 60.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.499 ' O ' HG12 ' A' ' 48' ' ' VAL . 76.8 tttt -86.35 95.38 9.63 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.727 -174.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.737 ' O ' HD21 ' A' ' 95' ' ' LEU . 94.9 mmm -54.28 -33.4 58.55 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.794 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.22 -10.78 45.17 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.704 HG13 HD13 ' A' ' 65' ' ' ILE . 5.9 p -125.16 -0.95 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.406 0.622 . . . . 0.0 110.118 176.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.95 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 34.7 m -120.6 132.51 55.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.751 ' HB2' HG23 ' A' ' 64' ' ' ILE . 34.6 mt-10 -89.53 131.11 35.72 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.397 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -98.27 115.11 37.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 167.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.3 mmmt -85.34 108.32 17.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.319 0.58 . . . . 0.0 110.001 -170.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 51' ' ' ILE . 70.2 t -133.7 120.52 37.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.352 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -105.51 -89.5 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.15 -176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 m -141.88 -53.49 0.44 Allowed 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.309 -0.156 . . . . 0.0 111.353 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.89 115.57 1.91 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.064 0.459 . . . . 0.0 111.792 -174.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.636 ' HA ' ' CZ ' ' A' ' 81' ' ' ARG . 39.6 m-20 -77.22 95.93 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.159 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.674 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 25.4 t-20 -164.38 168.74 18.24 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.582 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.564 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p -60.81 -8.89 3.38 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -163.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.497 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -93.65 114.96 27.39 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -167.179 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.489 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.6 mpp? -134.81 156.48 48.8 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.017 175.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -126.7 138.6 53.42 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 122.363 -0.211 . . . . 0.0 110.965 -176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -113.23 121.77 45.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 109.905 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.751 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -126.16 116.6 46.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.391 0.615 . . . . 0.0 111.137 -179.137 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.95 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.66 114.31 24.99 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.516 177.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 65' ' ' ILE . 42.5 Cg_exo -56.32 112.97 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.961 2.441 . . . . 0.0 112.968 -171.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 125.92 -57.35 0.69 Allowed Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.64 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 33.8 mt-10 -97.06 -69.68 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 8.9 pt20 48.77 -162.7 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 168.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.5 37.79 5.91 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.727 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -103.81 112.21 25.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.276 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.447 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 18.1 t80 -104.25 128.64 52.02 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.54 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 90.2 mtp -121.53 136.79 54.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.942 0.401 . . . . 0.0 109.962 -177.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 36.6 ttmt -143.36 124.17 14.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.046 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.21 -178.83 7.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.629 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.736 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.4 t -61.17 -58.98 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.458 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 31.6 p30 -137.74 174.14 10.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.149 174.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.674 ' HB2' ' HA ' ' A' ' 58' ' ' ASN . . . -53.96 -37.3 63.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.87 0.367 . . . . 0.0 111.429 -177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.87 83.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.674 176.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.736 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 23.1 mm-40 -60.68 -40.19 91.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.416 0.627 . . . . 0.0 110.106 175.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -57.93 -38.48 76.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.6 175.025 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 86' ' ' VAL . 55.3 tp60 -64.58 -34.22 77.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -61.56 -45.27 94.85 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.476 0.655 . . . . 0.0 110.015 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.501 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -66.18 -38.2 87.45 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.353 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 2.8 mp -62.89 -32.13 73.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.049 177.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 82' ' ' GLN . 45.7 t -62.19 -51.35 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 177.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.77 -50.73 19.18 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 112.163 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 84' ' ' TRP . 40.0 mt -74.37 -44.82 50.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.288 -175.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.86 -31.27 80.22 Favored Glycine 0 CA--C 1.512 -0.128 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.863 -173.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 t -66.7 -28.75 68.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 109.79 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -69.86 -42.11 73.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.014 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HB2' HG23 ' A' ' 51' ' ' ILE . 18.3 ttpt -56.88 -46.0 82.14 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.036 0.446 . . . . 0.0 111.574 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.41 100.71 0.87 Allowed 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -175.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.8 m 67.85 65.71 0.37 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.602 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.794 HD11 ' HA ' ' A' ' 47' ' ' ALA . 15.2 tp -96.88 158.38 15.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.264 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.1 p -79.47 164.57 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -173.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 67.19 179.52 0.22 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.702 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.01 112.74 9.32 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.915 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.788 ' HD2' ' HB3' ' A' ' 95' ' ' LEU . 58.3 mtp180 -107.13 166.09 10.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.321 178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.249 1.043 0 O-C-N 124.283 0.989 . . . . 0.0 112.311 179.737 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.61 93.24 0.14 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.34 2.693 . . . . 0.0 112.925 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' -5' ' ' LEU . 3.8 mm? -120.15 111.63 18.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.551 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 84.3 -58.56 4.99 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.76 -0.734 . . . . 0.0 111.65 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 21.8 t -66.84 129.05 94.08 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.61 127.38 16.12 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.386 2.724 . . . . 0.0 112.895 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -72.9 84.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.879 -178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -126.83 128.45 46.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.752 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 16.3 tpt -139.65 138.24 35.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.148 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 162.67 32.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.78 0.324 . . . . 0.0 110.767 -178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.11 -175.49 23.91 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.498 HG12 ' CE3' ' A' ' 19' ' ' TRP . 0.9 OUTLIER -115.37 158.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 117.097 0.449 . . . . 0.0 110.163 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.8 mm? -130.12 145.3 51.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.872 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.69 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 1.4 t80 -62.06 124.06 19.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.386 171.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -124.8 117.38 24.01 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.882 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -75.97 125.81 29.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 p -109.63 -77.43 0.6 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.511 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -132.13 159.25 39.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -66.67 -21.72 66.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.831 0.348 . . . . 0.0 111.093 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.0 -41.36 64.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 p -89.24 -28.97 19.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.556 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -109.19 3.36 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 3.7 p-90 -124.76 150.48 46.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 18.8 mm-40 -131.36 121.73 18.62 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 40.1 Cg_endo -67.44 106.0 1.16 Allowed 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.357 2.038 . . . . 0.0 111.527 173.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.762 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.4 tpm_? -106.73 151.3 25.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.498 ' CE3' HG12 ' A' ' 4' ' ' VAL . 42.8 t-105 -95.01 133.5 38.71 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.92 0.391 . . . . 0.0 110.366 -174.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD1' HD23 ' A' ' 5' ' ' LEU . 94.7 m-85 -132.65 149.26 52.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.007 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 28' ' ' SER . 24.3 m -133.21 135.39 56.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.66 HD23 HD23 ' A' ' 27' ' ' LEU . 1.8 tm? -103.99 118.55 36.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 174.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.2 131.64 15.7 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.667 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 59.71 38.67 21.68 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.222 0.534 . . . . 0.0 111.432 174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 71.71 10.97 72.68 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.776 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -116.39 132.16 66.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.548 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 HD23 ' A' ' 22' ' ' LEU . 2.6 tm? -104.76 110.85 23.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 176.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 21' ' ' VAL . 15.2 m -106.3 136.72 45.52 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.683 0.278 . . . . 0.0 110.803 -172.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -106.55 135.53 47.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.458 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.537 ' CG ' ' HA ' ' A' ' 36' ' ' VAL . 82.2 m-85 -144.63 171.8 13.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 18' ' ' ARG . 3.8 t70 -73.22 -37.7 66.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.964 0.411 . . . . 0.0 110.722 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.521 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 15.2 p -165.61 -174.51 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.639 -176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.509 -176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 35.6 t70 -69.96 -32.96 71.46 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.08 0.467 . . . . 0.0 110.837 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.521 ' HB3' ' H ' ' A' ' 32' ' ' SER . 35.3 t70 -67.26 -16.64 64.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.878 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.537 ' HA ' ' CG ' ' A' ' 30' ' ' TYR . 76.6 t -57.15 -36.01 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.273 0.559 . . . . 0.0 110.81 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.7 t -86.93 -30.5 21.29 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.916 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 19.0 mmtt -88.34 -37.93 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.72 -131.29 1.31 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 115.207 0.843 . . . . 0.0 115.207 -163.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 p -99.14 127.64 45.14 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -165.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -96.02 13.74 26.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.934 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.15 -47.33 90.55 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 175.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.5 p 54.43 -177.15 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.117 0.967 . . . . 0.0 113.085 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.16 120.43 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.417 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG2' HG12 ' A' ' 48' ' ' VAL . 29.7 ttmt -78.03 116.03 18.21 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.334 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.577 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.1 mtp -65.58 -30.89 71.68 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-O 120.619 0.247 . . . . 0.0 111.117 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.38 -13.16 60.23 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.88 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.59 2.73 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.656 0.741 . . . . 0.0 110.21 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.67 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.4 t -129.43 125.19 35.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.404 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.0 mm-40 -88.27 133.65 34.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.318 0.58 . . . . 0.0 110.728 -178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.667 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.43 118.92 46.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.87 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -84.2 110.32 18.44 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.667 HG23 HG13 ' A' ' 51' ' ' ILE . 54.5 t -126.58 147.75 31.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.937 -172.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 71.45 40.45 0.82 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.483 0.713 . . . . 0.0 110.405 -178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.62 -72.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.392 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -167.54 -77.19 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.728 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.701 ' HB2' ' HD3' ' A' ' 60' ' ' ARG . 6.2 m-20 -70.39 160.94 31.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.836 174.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.661 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 47.2 m-80 -95.71 179.99 4.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.289 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.79 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 14.8 p 69.45 -7.3 0.86 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.331 1.452 . . . . 0.0 112.268 -173.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.701 ' HD3' ' HB2' ' A' ' 57' ' ' ASP . 51.6 mtp180 -110.45 121.05 44.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -167.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.66 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.3 mpp? -140.97 153.39 45.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.662 174.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -125.17 138.61 54.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.456 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.51 121.26 44.72 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.87 HG21 ' HE3' ' A' ' 52' ' ' LYS . 0.8 OUTLIER -123.25 115.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.375 0.607 . . . . 0.0 111.018 -178.031 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.88 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.73 115.81 18.12 Favored Pre-proline 0 N--CA 1.452 -0.351 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.437 -178.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.533 ' HD2' HD12 ' A' ' 65' ' ' ILE . 36.0 Cg_exo -57.75 117.6 4.33 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.959 2.439 . . . . 0.0 112.529 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 128.7 -60.27 0.67 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.608 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -108.08 -55.96 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 13.8 pt20 45.56 -163.29 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.193 0.997 . . . . 0.0 113.61 173.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 t60 68.82 51.22 0.59 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.619 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -121.71 111.46 17.2 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.018 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -102.79 138.97 38.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 173.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.474 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 77.4 mtp -135.97 135.8 39.86 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.69 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 54.2 tttm -136.82 125.49 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 80' ' ' GLU . . . -83.62 168.32 16.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.201 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.802 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.0 t -55.42 -57.27 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.007 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.665 ' C ' HG22 ' A' ' 59' ' ' THR . 35.8 p30 -137.34 -179.02 5.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.225 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -58.49 -41.43 85.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.916 0.389 . . . . 0.0 110.895 -175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.77 97.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.522 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.802 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.3 mm-40 -60.9 -39.84 90.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.877 175.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.79 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.1 ttt180 -59.33 -44.99 92.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.83 174.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.2 tp60 -60.5 -35.72 76.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.176 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 45.5 mtt180 -61.77 -46.66 88.63 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.319 0.581 . . . . 0.0 110.631 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.506 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -68.79 -35.6 77.23 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 177.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.477 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.9 mp -62.53 -31.78 72.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.495 176.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.9 t -63.51 -51.48 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.572 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.0 -49.9 22.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.577 HD23 ' SD ' ' A' ' 46' ' ' MET . 34.1 mt -73.67 -40.73 63.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.849 -177.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.93 91.45 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.112 -0.494 . . . . 0.0 113.205 -173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.8 p -63.94 -28.45 69.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.072 0.463 . . . . 0.0 110.06 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.635 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 46.6 m -69.28 -47.24 65.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.588 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -34.9 78.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.225 0.536 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.0 99.55 3.33 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.091 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 m 70.37 45.63 0.63 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.593 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.96 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 26.4 tp -74.56 -178.86 3.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.569 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.607 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 2.2 p -66.23 -174.89 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.518 0.675 . . . . 0.0 112.524 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.93 174.7 1.79 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.894 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.1 p 56.7 52.14 10.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.54 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.96 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 38.4 mtm180 -98.83 112.79 24.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.985 174.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.253 1.261 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.177 -177.554 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.468 ' CB ' ' HG2' ' A' ' -1' ' ' GLU . 22.8 Cg_exo -64.83 156.9 59.33 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.576 2.184 . . . . 0.0 111.445 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -85.82 99.89 11.68 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.01 -90.53 1.29 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.309 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.826 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 29.6 t -152.16 -44.78 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 119.617 -0.23 . . . . 0.0 111.389 -178.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.826 ' HD2' ' H ' ' A' ' -3' ' ' SER . 27.8 Cg_endo -64.43 90.06 0.17 Allowed 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.706 1.604 . . . . 0.0 111.792 172.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.468 ' HG2' ' CB ' ' A' ' -6' ' ' PRO . 13.6 mt-10 -78.81 83.63 4.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.749 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . 0.554 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 89.0 t80 -118.79 131.85 56.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.033 0.445 . . . . 0.0 111.036 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -141.03 142.23 34.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.845 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -137.29 156.93 47.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.675 0.274 . . . . 0.0 110.813 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.09 -173.6 31.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.678 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.497 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.44 157.3 17.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 117.279 0.539 . . . . 0.0 110.21 178.257 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -133.75 151.36 51.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.688 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m-85 -70.06 100.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.242 175.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -98.91 116.44 31.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.062 0.458 . . . . 0.0 110.322 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -67.94 133.97 50.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.525 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 p -119.02 -63.42 1.4 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.001 0.429 . . . . 0.0 110.732 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -151.79 162.34 41.19 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -75.33 -17.59 60.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.645 0.259 . . . . 0.0 111.493 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.38 -40.97 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.15 0.5 . . . . 0.0 110.065 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 p -87.96 -29.67 20.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.473 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.42 -98.49 2.18 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 13.6 p-90 -131.27 149.93 52.36 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -131.16 123.32 19.69 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.239 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.5 115.49 3.56 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.511 2.141 . . . . 0.0 111.876 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 33.2 mmt180 -115.66 152.8 32.48 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.969 179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.45 ' CE3' HG12 ' A' ' 4' ' ' VAL . 55.6 t-105 -94.11 124.48 38.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.118 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 92.8 m-85 -122.35 146.09 47.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.894 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.21 136.14 55.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.186 0.517 . . . . 0.0 110.54 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 2.9 tm? -102.19 120.03 39.79 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 176.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -135.95 107.78 7.08 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.611 -177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 53.63 46.06 26.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.471 172.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.5 -5.65 80.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.287 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.49 130.17 66.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 122.181 -0.599 . . . . 0.0 110.569 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.534 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -107.44 110.24 22.15 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -114.1 148.96 36.27 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.13 -175.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 45.3 p90 -118.04 149.6 40.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -132.95 173.46 11.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.91 -39.78 69.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.935 0.398 . . . . 0.0 110.727 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.469 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 69.7 m -155.29 -177.64 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.875 -176.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.21 -43.19 95.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.089 0.471 . . . . 0.0 110.28 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.66 -28.33 69.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.3 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.761 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 36.4 t70 -69.69 -15.87 63.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.125 -174.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.9 t -59.9 -37.27 71.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.93 -22.11 61.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.874 -178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.761 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 13.4 mmtm -71.07 -12.88 61.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.681 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.13 131.82 7.16 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.302 -0.952 . . . . 0.0 111.517 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 m -56.71 134.93 55.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.92 0.39 . . . . 0.0 111.747 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -103.88 -23.2 13.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.323 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.7 137.79 4.96 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.362 -176.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.5 m -134.3 155.63 49.87 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.81 0.338 . . . . 0.0 110.388 -177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 87.1 mt -111.33 121.98 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.759 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HB3' HG12 ' A' ' 48' ' ' VAL . 33.6 ttmt -79.79 111.66 16.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.976 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.0 mmm -64.42 -26.5 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.855 0.36 . . . . 0.0 110.983 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.604 ' HA ' HD21 ' A' ' 95' ' ' LEU . . . -69.74 -11.97 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.646 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.885 HG13 HD13 ' A' ' 65' ' ' ILE . 9.2 p -125.51 2.07 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.658 0.742 . . . . 0.0 110.061 179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 42.5 t -124.14 132.81 53.67 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.424 -176.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.667 ' HB2' HG23 ' A' ' 64' ' ' ILE . 26.3 mt-10 -88.95 129.6 35.6 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.997 0.427 . . . . 0.0 110.019 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.665 HG13 HG23 ' A' ' 53' ' ' VAL . 2.4 tp -99.13 115.0 38.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 168.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' NZ ' ' HB ' ' A' ' 100' ' ' THR . 21.7 mmmt -85.85 109.64 18.84 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -172.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.665 HG23 HG13 ' A' ' 51' ' ' ILE . 49.4 t -124.63 113.6 36.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -173.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -130.96 141.21 50.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.377 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.0 p -88.95 101.65 14.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.749 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.81 -73.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.83 ' HB3' ' HG3' ' A' ' 60' ' ' ARG . 8.2 t70 -87.62 177.86 6.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.962 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.423 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 18.2 m120 -69.81 -82.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -172.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.818 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 24.2 p -111.21 81.58 1.46 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.109 0.563 . . . . 0.0 111.162 -171.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.83 ' HG3' ' HB3' ' A' ' 57' ' ' ASP . 17.2 mmm180 -135.26 103.65 5.6 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -171.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.751 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -143.38 143.21 31.54 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 122.247 -0.283 . . . . 0.0 110.761 174.095 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -120.64 138.53 53.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.5 mm? -108.05 120.8 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.667 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -126.84 115.7 42.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.417 0.627 . . . . 0.0 111.219 -178.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.885 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.64 116.41 18.31 Favored Pre-proline 0 N--CA 1.453 -0.279 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.887 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.58 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.0 Cg_exo -53.32 115.26 2.18 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.042 2.495 . . . . 0.0 112.681 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.83 -58.67 0.65 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.66 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 30.3 mt-10 -100.44 -68.56 0.81 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' HB3' ' O ' ' A' ' 65' ' ' ILE . 12.9 pt20 48.98 -168.47 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 168.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 63.32 39.57 9.34 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 94.0 m-85 -101.94 111.39 23.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.776 176.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -95.06 140.59 29.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.443 ' CG ' ' HG ' ' A' ' 5' ' ' LEU . 33.8 mtt -123.0 136.5 54.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.164 0.507 . . . . 0.0 110.698 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.688 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -133.84 121.51 21.89 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 168.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.58 174.68 11.33 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.696 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -66.31 -65.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.244 0.545 . . . . 0.0 109.928 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 87.9 m-20 -118.14 162.45 18.2 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.331 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.69 -39.19 64.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.054 0.454 . . . . 0.0 109.83 176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.3 96.97 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.34 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.466 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 38.6 mm-40 -67.05 -33.17 74.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.237 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.818 ' HD2' ' HA ' ' A' ' 59' ' ' THR . 45.5 ttt180 -62.92 -41.89 99.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.172 173.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.1 tp60 -58.24 -34.78 70.82 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.224 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -62.21 -43.86 97.87 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.876 0.369 . . . . 0.0 110.835 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.466 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -67.93 -36.94 81.01 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.154 174.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.2 mp -63.59 -32.24 73.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.604 178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.1 t -63.55 -51.06 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.672 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.23 -50.15 23.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.193 0.52 . . . . 0.0 111.95 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 84' ' ' TRP . 30.6 mt -74.59 -40.59 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.917 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.15 89.27 Favored Glycine 0 N--CA 1.454 -0.154 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.22 -172.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.3 p -62.65 -26.77 68.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.142 0.496 . . . . 0.0 110.119 176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 27.8 t -69.37 -47.92 62.81 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.064 175.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -60.97 -41.16 95.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 120.906 0.384 . . . . 0.0 110.978 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.85 103.45 3.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.213 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m 63.47 72.8 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.471 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.826 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 12.8 tp -115.53 -161.1 0.77 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.096 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.709 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -66.1 178.95 1.01 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.324 0.583 . . . . 0.0 112.189 177.053 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.62 174.68 1.28 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.527 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.2 p 52.89 73.67 0.34 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.297 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.826 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 52.2 mtm180 -128.63 133.78 48.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.34 176.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.405 ' HB ' ' NZ ' ' A' ' 52' ' ' LYS . 2.8 m . . . . . 0 C--O 1.253 1.278 0 CA-C-O 118.398 -0.81 . . . . 0.0 110.933 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 90' ' ' SER . 42.4 Cg_exo -58.74 136.96 77.33 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 123.061 2.507 . . . . 0.0 111.844 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 44.8 tp -93.61 104.41 16.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.529 -175.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 84.91 -72.69 2.75 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.439 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.766 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 22.4 m -153.09 -53.08 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.766 ' HD2' ' H ' ' A' ' -3' ' ' SER . 12.1 Cg_endo -55.0 98.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 122.677 2.251 . . . . 0.0 113.24 -176.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.03 71.09 3.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.435 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 86.0 t80 -125.96 139.13 53.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.64 -177.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.7 tpt -139.86 143.59 36.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.986 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -135.81 153.63 51.45 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.207 0.317 . . . . 0.0 110.349 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.82 -164.29 27.85 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.753 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.468 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -124.31 161.38 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.991 0.395 . . . . 0.0 110.467 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.804 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -136.1 160.03 39.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.037 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.735 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.6 OUTLIER -70.44 118.86 13.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.918 171.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -113.99 116.25 28.91 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.718 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -65.19 124.89 23.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.6 p -110.66 -70.16 0.83 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.019 0.438 . . . . 0.0 110.818 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -142.84 162.63 34.96 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -71.23 -24.6 62.22 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.755 0.312 . . . . 0.0 110.961 -176.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.56 -41.25 63.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.221 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -84.48 -33.63 23.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.832 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.07 -97.29 2.05 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.735 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -122.97 135.14 54.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.828 0.347 . . . . 0.0 110.645 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -132.46 123.66 18.67 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.076 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.88 124.78 12.73 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.721 2.281 . . . . 0.0 112.217 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -121.43 155.76 34.17 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.958 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -93.68 124.46 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.36 0.413 . . . . 0.0 110.008 -175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.405 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 97.4 m-85 -125.69 144.02 50.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.976 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.42 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.428 176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 0' ' ' PHE . 3.1 tm? -102.0 121.22 41.75 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 175.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -137.79 107.29 6.16 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 t30 52.96 58.02 5.75 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.0 171.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.16 -7.71 66.36 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.985 -0.626 . . . . 0.0 113.892 175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mm -114.86 131.05 68.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 117.579 0.689 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 22' ' ' LEU . 2.9 tm? -104.09 115.66 30.83 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -107.39 142.62 36.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.74 0.305 . . . . 0.0 110.821 -175.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -118.85 137.42 53.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.484 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.588 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 95.7 m-85 -137.32 171.03 15.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.442 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.18 -39.68 60.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.978 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.453 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 69.1 m -154.0 -178.4 7.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.468 -175.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.65 -53.93 39.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.91 -25.93 68.37 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.276 0.56 . . . . 0.0 111.111 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 36.5 t70 -66.84 -21.08 66.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.943 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 30' ' ' TYR . 89.9 t -66.74 -39.64 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.286 0.565 . . . . 0.0 110.98 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.3 t -71.47 -23.9 61.9 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.494 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 26.5 mmtt -67.02 -47.27 71.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.363 0.601 . . . . 0.0 111.249 -176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.68 143.94 3.85 Favored Glycine 0 N--CA 1.434 -1.496 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -170.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.588 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 1.5 t -71.12 161.6 30.84 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.651 0.739 . . . . 0.0 111.3 -177.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 4.1 mptt -111.41 -8.71 14.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.621 175.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.9 165.15 12.27 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.611 -172.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -141.67 161.1 38.77 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 117.435 0.618 . . . . 0.0 110.275 -177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.94 120.13 60.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.454 0.645 . . . . 0.0 109.349 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -83.04 110.87 18.35 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.303 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.608 ' O ' HD21 ' A' ' 95' ' ' LEU . 95.4 mmm -63.31 -27.5 69.37 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.675 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -68.43 -15.17 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.811 HG13 HD13 ' A' ' 65' ' ' ILE . 6.4 p -125.33 1.72 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.759 0.79 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.809 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.8 t -135.84 118.88 16.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.803 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.509 ' HB3' ' HE3' ' A' ' 52' ' ' LYS . 7.7 mt-10 -87.06 143.1 27.47 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.554 0.692 . . . . 0.0 111.14 -177.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.744 HD11 ' HB3' ' A' ' 61' ' ' MET . 2.2 tp -97.53 115.07 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 167.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' HE3' ' HB3' ' A' ' 50' ' ' GLU . 7.9 mmpt? -84.22 108.21 16.97 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -172.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 51' ' ' ILE . 56.0 t -120.87 112.82 37.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.998 -173.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -144.65 104.7 4.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.414 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -66.1 117.82 8.96 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.164 0.507 . . . . 0.0 111.043 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.61 -62.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.775 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . 4.0 m-20 -93.1 178.7 5.66 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -106.91 147.83 29.33 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.26 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.629 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 45.6 p 51.3 45.26 28.18 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.872 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.518 ' HD2' ' HB2' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -128.8 98.31 4.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.026 0.441 . . . . 0.0 111.896 -174.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.8 mpp? -134.62 156.12 49.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -131.12 137.51 49.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.7 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.21 121.16 44.62 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 1.2 tp -126.25 116.03 44.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.513 0.673 . . . . 0.0 111.381 -177.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.811 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -128.52 115.9 19.68 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.74 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' HD2' HD12 ' A' ' 65' ' ' ILE . 45.0 Cg_exo -56.7 111.86 0.92 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.914 2.409 . . . . 0.0 112.322 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.49 -62.66 0.62 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.721 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' C ' ' HG3' ' A' ' 69' ' ' GLN . 23.1 mt-10 -101.94 -59.81 1.64 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.451 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.453 ' HG3' ' C ' ' A' ' 68' ' ' GLU . 4.5 pp0? 45.21 -161.8 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 175.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.2 t60 66.41 38.96 4.13 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.737 0.78 . . . . 0.0 109.499 -177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -112.7 112.29 23.69 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.288 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -103.54 146.57 28.34 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.804 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -120.41 136.57 54.69 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -178.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.712 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 23.0 ttmm -152.29 123.02 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.93 -174.47 4.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.215 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.83 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 52.8 t -65.52 -61.16 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.63 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -136.37 174.73 10.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.384 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.83 -45.04 29.44 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.21 99.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.082 0.468 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.83 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 36.2 mm-40 -63.23 -38.63 91.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.542 0.687 . . . . 0.0 109.941 175.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.629 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.1 tmm_? -59.95 -40.14 87.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.086 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 tp60 -66.97 -33.8 76.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 0.0 111.02 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.468 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.3 m95 -69.37 -35.13 75.52 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.411 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.1 mp -60.63 -32.85 71.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.25 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 82' ' ' GLN . 51.1 t -63.38 -51.89 65.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.14 176.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.72 -50.28 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 112.031 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.4 mt -72.93 -33.7 66.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.512 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -60.56 -31.43 74.73 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.076 -0.583 . . . . 0.0 111.898 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.555 ' HB2' ' HD3' ' A' ' -6' ' ' PRO . 36.4 t -57.05 -36.43 70.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.198 0.523 . . . . 0.0 110.008 174.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 28.3 m -70.55 -49.89 43.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.489 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -37.51 87.76 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.773 0.321 . . . . 0.0 111.667 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.44 106.49 4.56 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.357 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.0 m 63.09 49.75 3.3 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.622 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.012 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 22.3 tp -79.34 -176.84 5.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.571 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.632 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -71.49 -169.92 0.47 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.563 0.696 . . . . 0.0 112.594 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.43 178.34 0.22 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.724 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.1 p 54.2 63.72 2.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.371 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 1.012 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 64.9 mtm180 -121.69 167.15 13.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.477 176.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 85.3 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.692 176.758 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . 0.419 ' HA2' ' HD3' ' A' ' -6' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.789 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 83.4 Cg_endo -89.74 85.59 0.45 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.825 2.35 . . . . 0.0 112.643 -175.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.79 91.03 5.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.313 0.578 . . . . 0.0 109.941 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 90.09 -60.94 3.38 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 45.0 m -82.46 122.28 78.78 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.37 142.21 77.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 111.869 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.789 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 4.2 mm-40 -72.59 130.33 40.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.445 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -103.06 127.68 50.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 tpt -138.7 137.16 36.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.16 145.96 42.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.74 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.23 -169.17 34.78 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -117.75 157.97 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 117.303 0.551 . . . . 0.0 110.27 179.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.47 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.6 mm? -132.06 151.02 52.0 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.308 176.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.723 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 4.2 t80 -61.43 115.93 4.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.529 172.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -117.65 124.0 47.51 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.17 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -73.28 142.11 47.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.95 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 p -125.0 -78.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -136.85 156.88 47.91 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -67.7 -23.49 65.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.45 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -74.2 -40.01 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 0.0 110.99 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 p -88.59 -29.19 20.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.794 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.6 -111.47 3.71 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CZ3' ' HA ' ' A' ' 6' ' ' TYR . 6.8 p-90 -127.75 149.27 50.31 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -175.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -131.74 125.01 20.19 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.878 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.81 116.82 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.367 2.044 . . . . 0.0 111.134 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.651 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 1.6 mmp_? -107.56 151.63 25.35 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -93.25 117.52 30.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 89.0 m-85 -114.76 144.19 43.87 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.004 -178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -133.38 135.33 56.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.15 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -103.47 119.66 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -146.52 112.29 5.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.422 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.41 44.94 23.61 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.664 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.76 -1.53 88.62 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.95 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.8 mm -110.53 129.05 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.952 0.406 . . . . 0.0 110.542 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -106.31 110.51 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 19.5 m -107.73 148.24 29.7 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.004 -173.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.495 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 23.2 p90 -122.23 133.78 54.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.703 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 40' ' ' SER . 58.3 m-85 -134.65 165.38 25.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.135 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.7 -36.73 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.5 t -158.03 -177.27 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.573 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -71.76 -39.41 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.122 0.487 . . . . 0.0 110.042 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.96 -25.19 63.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.23 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -89.31 -14.0 36.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.417 -173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.492 HG22 ' CD1' ' A' ' 30' ' ' TYR . 59.7 t -64.39 -46.73 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.004 0.43 . . . . 0.0 111.408 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.1 m -64.03 -20.16 65.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.208 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -67.68 -29.17 68.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.053 0.454 . . . . 0.0 111.319 -176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.3 117.76 4.32 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.298 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.515 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 4.4 p -81.86 137.43 35.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.234 0.54 . . . . 0.0 111.632 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -95.6 -19.72 19.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.739 175.308 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.97 126.63 6.67 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 m -149.03 165.45 31.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.956 0.378 . . . . 0.0 110.603 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.8 mt -111.13 121.25 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.231 0.539 . . . . 0.0 110.296 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.636 ' HG2' HG12 ' A' ' 48' ' ' VAL . 18.4 ttmt -86.18 111.59 20.53 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.434 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.654 ' O ' HD21 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -58.41 -35.18 71.66 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.547 -178.156 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.779 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -68.66 -9.57 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.692 HG13 HD13 ' A' ' 65' ' ' ILE . 9.5 p -125.26 -3.87 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-O 121.24 0.543 . . . . 0.0 110.647 178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.886 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 47.6 m -117.45 134.66 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.902 0.382 . . . . 0.0 110.454 -176.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.505 ' CB ' HG23 ' A' ' 64' ' ' ILE . 2.4 mm-40 -88.72 124.19 33.87 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.669 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.9 114.34 36.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 170.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 27.0 mmmt -84.47 108.78 17.45 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 119.92 -0.712 . . . . 0.0 109.589 -169.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.669 HG23 HG13 ' A' ' 51' ' ' ILE . 55.5 t -128.3 116.06 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.259 -173.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -95.74 -9.41 31.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.559 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.5 m 73.85 -12.86 0.81 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 169.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.96 -26.51 9.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.903 0.382 . . . . 0.0 111.607 -176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.99 146.42 49.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.719 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.409 HD22 ' HB2' ' A' ' 78' ' ' ALA . 14.7 m120 -76.56 117.91 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.738 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.877 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.2 p 53.13 -136.59 1.35 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.236 0.614 . . . . 0.0 110.503 -174.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 48.72 95.53 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.535 ' HB3' HD11 ' A' ' 51' ' ' ILE . 2.2 mpp? -133.78 140.72 47.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.779 173.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -113.59 139.32 49.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.108 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 51' ' ' ILE . 4.0 mm? -109.03 121.5 45.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 109.739 175.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.505 HG23 ' CB ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -122.86 116.58 49.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.416 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.886 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -125.8 119.31 24.18 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.319 -0.855 . . . . 0.0 108.989 -179.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.694 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.1 Cg_exo -54.41 122.82 12.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.999 2.466 . . . . 0.0 112.658 -177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.65 -50.35 0.78 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.177 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -107.67 -65.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.404 -0.118 . . . . 0.0 110.837 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.574 ' H ' HG23 ' A' ' 65' ' ' ILE . 28.1 pt20 47.18 -163.26 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.249 1.02 . . . . 0.0 113.389 177.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 68.58 52.92 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.734 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -125.96 112.86 16.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -103.78 135.45 45.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.712 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.465 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.8 mtp -130.61 137.27 49.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.092 0.472 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 58.0 tttm -138.36 121.88 17.29 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.95 169.31 18.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.072 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.0 t -54.72 -54.97 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 123.553 0.533 . . . . 0.0 111.001 -178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.45 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -143.04 168.44 19.71 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.142 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.631 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -50.98 -40.9 58.98 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.446 ' HB3' ' ND2' ' A' ' 77' ' ' ASN . . . -62.67 -44.48 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.958 0.409 . . . . 0.0 111.872 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' A' ' 77' ' ' ASN . 53.5 mm-40 -63.33 -31.07 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.453 0.644 . . . . 0.0 110.908 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.877 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -56.74 -38.14 71.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.036 172.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 86' ' ' VAL . 27.2 tp60 -67.76 -34.36 76.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.503 -176.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -64.47 -45.24 88.27 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 110.39 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.53 ' HB3' HD12 ' A' ' 88' ' ' LEU . 90.6 m95 -66.63 -36.26 82.15 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.155 176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' A' ' 81' ' ' ARG . 3.1 mp -62.68 -32.23 73.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.748 177.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -64.19 -51.31 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.707 176.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.2 -49.65 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.549 HD23 ' SD ' ' A' ' 46' ' ' MET . 30.0 mt -74.34 -44.64 51.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.292 0.568 . . . . 0.0 111.954 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.94 -29.99 73.92 Favored Glycine 0 N--CA 1.453 -0.18 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.153 -173.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -64.33 -26.92 68.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.908 0.385 . . . . 0.0 110.409 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 23.2 t -70.16 -49.41 50.8 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.753 174.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -55.6 -36.74 67.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.133 0.492 . . . . 0.0 111.904 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.18 103.33 0.61 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.883 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 p 52.17 61.12 3.37 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.525 -175.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 47' ' ' ALA . 18.7 tp -86.64 163.18 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.016 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.7 p -82.27 170.74 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.6 t70 66.84 -174.94 0.19 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.072 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 27.5 p -74.82 74.1 2.1 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.432 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -54.87 111.73 0.89 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.288 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.694 -176.141 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . 0.588 ' HA3' ' HB3' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.483 ' HD2' ' OG ' ' A' ' 90' ' ' SER . 45.5 Cg_exo -56.65 119.96 7.53 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.966 2.444 . . . . 0.0 112.694 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -131.14 79.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.67 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 96.0 -41.86 2.36 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -174.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.6 p -55.45 149.45 28.57 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 114.534 -0.833 . . . . 0.0 111.216 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.12 104.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.105 2.537 . . . . 0.0 112.566 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.479 ' HG3' ' HG2' ' A' ' -6' ' ' PRO . 39.3 tt0 -81.75 70.48 8.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.859 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 72.9 t80 -126.42 129.49 48.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.786 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt -140.23 136.75 33.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.039 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 159.38 39.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 150.98 -170.82 30.73 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.467 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -117.87 153.97 19.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 117.148 0.474 . . . . 0.0 110.365 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.62 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -130.44 150.21 51.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 176.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.713 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -70.66 103.13 2.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.163 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -98.25 116.67 30.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.807 0.337 . . . . 0.0 110.248 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -70.45 131.93 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.625 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.4 p -115.75 -65.27 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.068 0.461 . . . . 0.0 111.401 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -148.82 168.46 22.92 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -76.5 -27.04 55.91 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.578 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.66 -39.32 64.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.11 176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 p -87.91 -26.93 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.756 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.26 -119.34 4.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 19.8 p-90 -120.98 157.51 29.78 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -129.79 123.19 20.94 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.699 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.42 94.94 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 111.673 174.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -102.44 155.95 17.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.195 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.413 ' CE3' HG12 ' A' ' 4' ' ' VAL . 49.4 t-105 -94.47 124.34 38.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.567 -171.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 88.2 m-85 -121.84 147.52 45.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.594 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG22 ' HE1' ' A' ' 30' ' ' TYR . 35.3 m -136.36 136.89 48.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.741 176.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -101.98 120.26 40.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 173.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -145.23 108.41 4.58 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.837 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 57.15 61.08 2.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.49 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.85 -8.02 12.84 Favored Glycine 0 CA--C 1.521 0.413 0 CA-C-N 115.888 -0.596 . . . . 0.0 114.2 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.95 132.5 60.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 117.769 0.785 . . . . 0.0 111.053 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.627 HD23 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -103.95 110.1 22.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.3 m -108.38 146.9 32.34 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.898 0.38 . . . . 0.0 111.249 -174.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -117.09 138.57 51.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 84.3 m-85 -128.02 167.88 16.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.26 -37.83 52.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.948 0.404 . . . . 0.0 110.232 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 p -151.98 -179.18 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.995 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.62 -37.8 80.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.987 0.422 . . . . 0.0 110.646 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.481 ' OD2' ' HE2' ' A' ' 38' ' ' LYS . 18.6 t70 -64.02 -34.85 78.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.319 0.58 . . . . 0.0 110.525 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.507 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 32.1 t70 -65.35 -21.34 66.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.662 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.564 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 88.5 t -64.24 -38.76 83.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.939 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.7 t -73.86 -24.25 59.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.576 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 44.8 mmtt -70.92 -52.56 19.29 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.363 0.601 . . . . 0.0 110.49 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.41 125.02 3.31 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.927 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 p -78.91 144.49 34.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.18 0.514 . . . . 0.0 111.304 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.7 mptt -93.66 -9.6 37.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.426 0.632 . . . . 0.0 109.359 176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.14 128.84 5.39 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.637 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.1 m -139.83 165.03 28.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.4 mt -110.9 120.61 62.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.442 0.639 . . . . 0.0 110.302 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 17.9 ttmt -81.07 112.73 18.71 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.322 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.415 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -62.25 -33.57 74.87 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.001 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.41 60.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.954 HG13 HD13 ' A' ' 65' ' ' ILE . 9.5 p -124.69 -7.76 6.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.409 0.623 . . . . 0.0 110.383 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.757 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.8 t -117.23 122.45 44.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.999 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' A' ' 64' ' ' ILE . 38.8 mt-10 -88.04 135.03 33.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.169 0.509 . . . . 0.0 110.352 -175.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.702 HG13 HG23 ' A' ' 53' ' ' VAL . 2.0 tp -99.04 118.35 45.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 172.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.968 ' HE3' HG21 ' A' ' 64' ' ' ILE . 19.3 mmtp -84.06 108.55 17.06 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.13 0.49 . . . . 0.0 109.832 -172.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.702 HG23 HG13 ' A' ' 51' ' ' ILE . 77.2 t -133.7 113.78 19.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.533 -176.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -110.36 149.72 29.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 171.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -74.32 59.92 0.81 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -170.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.08 114.58 13.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 170.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.52 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 29.2 t70 -87.76 106.26 17.94 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -166.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -173.95 157.21 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 174.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.816 ' HA ' ' HG3' ' A' ' 81' ' ' ARG . 36.4 p -64.31 82.44 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -167.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -160.77 106.67 1.45 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.09 0.471 . . . . 0.0 111.904 175.523 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.754 ' SD ' ' HG2' ' A' ' 81' ' ' ARG . 1.5 mpp? -139.06 156.36 47.24 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.844 173.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -127.7 134.3 49.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.466 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.97 121.05 43.69 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.968 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -125.18 116.31 46.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-O 121.342 0.591 . . . . 0.0 111.473 -177.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.954 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.52 117.41 18.65 Favored Pre-proline 0 N--CA 1.449 -0.503 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.024 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD2' HD12 ' A' ' 65' ' ' ILE . 58.8 Cg_exo -53.49 119.67 6.57 Favored 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.113 2.542 . . . . 0.0 113.079 -176.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.1 -46.48 1.21 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.118 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -91.91 -78.53 0.4 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.931 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.9 pt20 43.06 -156.85 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.669 1.188 . . . . 0.0 112.91 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.0 t60 71.92 27.74 2.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 109.887 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -112.35 111.72 22.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.233 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -109.21 135.14 50.81 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.62 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 89.2 mtp -127.23 136.43 52.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.18 0.514 . . . . 0.0 110.334 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.713 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 80.7 tttt -138.51 123.62 19.12 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -79.9 177.77 8.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.231 -178.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.77 -59.11 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.117 0.484 . . . . 0.0 110.597 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 10.7 p30 -136.97 169.93 16.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.652 177.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.86 49.43 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.332 0.395 . . . . 0.0 111.647 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -59.99 -45.4 92.84 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.965 0.412 . . . . 0.0 111.584 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.46 -39.17 89.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.696 0.76 . . . . 0.0 110.522 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.816 ' HG3' ' HA ' ' A' ' 59' ' ' THR . 2.2 tmt_? -63.92 -40.25 96.05 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.043 177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.474 ' O ' HG23 ' A' ' 86' ' ' VAL . 22.3 tp60 -61.35 -34.68 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.51 -44.16 91.78 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.75 0.31 . . . . 0.0 110.999 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.449 ' HH2' ' O ' ' A' ' 20' ' ' PHE . 94.4 m95 -64.9 -35.72 82.04 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.166 0.508 . . . . 0.0 110.07 175.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.485 HD13 ' HD3' ' A' ' 81' ' ' ARG . 3.0 mp -62.83 -32.67 73.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.732 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.7 t -63.06 -51.01 77.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.635 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.33 -49.78 25.57 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.531 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.1 mt -73.52 -40.02 64.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.46 . . . . 0.0 112.006 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -35.61 92.3 Favored Glycine 0 C--O 1.234 0.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 113.499 -173.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.588 ' HB3' ' HA3' ' A' ' -7' ' ' GLY . 22.6 p -64.94 -33.08 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.939 0.4 . . . . 0.0 110.643 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 11.9 t -68.92 -43.09 75.89 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.968 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HB2' HG23 ' A' ' 51' ' ' ILE . 1.1 ttpm? -55.89 -39.09 71.06 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 123.299 0.639 . . . . 0.0 112.387 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.25 117.4 5.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.811 -172.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.1 p 53.77 37.16 25.67 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.278 1.031 . . . . 0.0 112.664 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.482 ' O ' ' HD3' ' A' ' 99' ' ' ARG . 34.1 tp -103.41 155.94 18.12 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.059 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.441 HG23 ' HG ' ' A' ' 95' ' ' LEU . 24.9 p 56.64 172.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 174.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -125.22 156.38 38.58 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.402 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.3 p 46.55 66.28 1.01 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.508 0.671 . . . . 0.0 111.152 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.533 ' HG2' ' OE2' ' A' ' 50' ' ' GLU . 29.0 mtm180 -84.01 131.4 34.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.534 -174.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.504 -0.76 . . . . 0.0 111.306 -174.383 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.619 -0.593 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.627 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 8.1 Cg_exo -72.04 156.03 56.46 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.721 2.281 . . . . 0.0 111.553 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 4.8 tt -88.11 91.82 8.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.85 -71.25 2.91 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.006 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.804 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 33.8 t -148.99 -52.05 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.223 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.804 ' HD2' ' H ' ' A' ' -3' ' ' SER . 19.4 Cg_endo -59.71 112.18 1.19 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 C-N-CA 121.957 1.771 . . . . 0.0 112.957 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 0.0 OUTLIER -131.93 128.64 38.94 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 175.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -126.29 119.76 28.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.922 0.391 . . . . 0.0 110.676 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -131.97 138.74 48.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.879 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -144.48 150.13 37.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.494 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.26 -172.29 34.69 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.528 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -116.0 155.56 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 117.432 0.616 . . . . 0.0 110.458 179.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.675 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.5 160.14 39.39 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.884 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -73.61 117.15 15.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.284 0.564 . . . . 0.0 110.258 172.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -112.52 115.97 29.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.287 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -70.8 128.16 35.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.094 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 p -113.96 -62.98 1.52 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.238 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -158.28 159.12 35.63 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -75.18 -16.05 60.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.939 0.4 . . . . 0.0 110.155 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -73.64 -41.46 62.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.42 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -83.75 -40.24 19.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.327 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.29 -108.48 3.62 Favored Glycine 0 N--CA 1.439 -1.154 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.884 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.9 p-90 -127.65 150.93 49.53 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 77.2 mm-40 -131.09 122.46 19.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.539 176.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 56.1 Cg_endo -70.99 115.56 4.32 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.456 2.104 . . . . 0.0 111.398 171.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 29.7 mmt180 -118.38 159.05 24.11 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.448 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -93.99 117.68 30.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 82.3 m-85 -115.92 144.0 44.65 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.953 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -133.36 137.07 53.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.288 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.623 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -102.21 120.72 40.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -140.44 110.09 6.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.214 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.2 t30 50.45 53.24 13.27 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.314 171.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.59 -3.63 81.79 Favored Glycine 0 CA--C 1.517 0.17 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.176 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -112.1 131.35 63.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.016 0.436 . . . . 0.0 110.414 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.623 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.67 110.5 22.7 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 175.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 p -116.74 135.44 53.76 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.136 -176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.483 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 49.9 p90 -104.43 148.51 26.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.411 178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.728 ' HE1' ' H ' ' A' ' 40' ' ' SER . 95.5 m-85 -136.74 170.03 16.75 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -72.08 -40.14 68.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.011 0.434 . . . . 0.0 110.257 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.427 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 45.2 m -161.98 -176.09 5.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.809 -178.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -64.05 -39.7 94.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 110.17 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.97 -32.84 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.377 0.608 . . . . 0.0 111.554 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 38.5 t70 -78.22 -16.57 57.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.287 -177.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.527 HG22 ' CD2' ' A' ' 30' ' ' TYR . 99.5 t -67.83 -39.88 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.183 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.1 t -68.26 -22.2 64.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.39 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 29.4 mmtm -71.42 -57.24 4.62 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.323 0.582 . . . . 0.0 109.755 175.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.51 110.22 3.22 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.728 ' H ' ' HE1' ' A' ' 30' ' ' TYR . 72.5 m -78.62 135.36 37.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -87.89 12.72 12.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.509 0.671 . . . . 0.0 109.813 176.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.58 84.64 0.34 Allowed Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.403 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.2 p -106.72 164.77 11.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.739 0.304 . . . . 0.0 110.784 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.92 120.66 62.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.356 0.598 . . . . 0.0 109.957 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -81.14 112.81 18.84 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.952 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.603 ' O ' HD21 ' A' ' 95' ' ' LEU . 92.5 mmm -64.21 -27.12 68.84 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.446 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.947 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.25 -16.13 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.032 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.889 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.55 0.59 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.618 0.723 . . . . 0.0 110.271 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.591 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 40.9 t -122.23 133.11 54.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.068 -176.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.481 ' OE1' ' HG3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -88.37 146.98 24.97 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.723 0.773 . . . . 0.0 110.229 179.204 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.685 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -119.09 114.9 46.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 114.241 -1.345 . . . . 0.0 108.289 177.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.887 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.3 mmpt? -85.18 108.68 17.83 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.913 -170.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.685 HG23 HG13 ' A' ' 51' ' ' ILE . 38.5 t -134.02 147.89 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.415 -171.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 53' ' ' VAL . 69.9 t60 77.45 -44.44 0.44 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.712 0.805 . . . . 0.0 112.071 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.2 m -72.31 -29.8 64.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.818 0.342 . . . . 0.0 111.593 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.97 168.28 12.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.501 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -75.72 173.87 10.53 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.831 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.649 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 78.9 m-20 -65.05 146.24 55.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.799 ' H ' ' HD2' ' A' ' 81' ' ' ARG . 17.2 p 66.52 -3.37 0.87 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.351 1.46 . . . . 0.0 112.181 -173.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.649 ' HG2' ' O ' ' A' ' 58' ' ' ASN . 8.8 mmm180 -107.58 118.57 37.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.978 0.418 . . . . 0.0 111.301 -170.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.592 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.9 mpp? -138.36 156.53 47.53 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.93 138.04 50.67 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.407 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -106.26 120.63 42.35 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -123.06 114.54 42.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.491 0.662 . . . . 0.0 110.853 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.889 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -124.96 115.89 26.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.623 179.06 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.65 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.9 Cg_exo -53.32 119.48 6.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.269 2.646 . . . . 0.0 112.872 -174.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.28 -53.03 0.62 Allowed Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.936 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.12 -71.23 0.69 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.562 ' H ' HG23 ' A' ' 65' ' ' ILE . 20.7 pt20 45.41 -161.46 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.512 1.125 . . . . 0.0 113.704 174.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 68.56 38.6 2.29 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.091 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -111.45 111.9 23.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.487 177.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -102.86 143.02 33.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.675 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -121.07 136.53 54.96 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.077 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.65 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 47.5 tttp -147.18 122.23 10.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.17 0.51 . . . . 0.0 110.438 172.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.37 173.83 8.91 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.929 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.711 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 75.5 t -55.76 -57.41 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 123.46 0.475 . . . . 0.0 111.033 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.613 ' C ' HG22 ' A' ' 59' ' ' THR . 31.8 p30 -139.81 179.31 6.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.153 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -57.44 -39.17 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.961 0.41 . . . . 0.0 110.992 -175.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.43 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.422 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.711 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 28.8 mm-40 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.302 0.573 . . . . 0.0 110.58 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.799 ' HD2' ' H ' ' A' ' 59' ' ' THR . 23.8 ttt180 -57.63 -45.19 85.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.906 174.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.553 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.7 tp60 -61.84 -33.12 73.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.795 -176.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.11 -45.09 93.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.532 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.6 m95 -69.05 -34.96 76.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.084 0.469 . . . . 0.0 110.46 174.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.563 ' HG ' HG13 ' A' ' 53' ' ' VAL . 5.7 mp -60.86 -32.37 71.8 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.153 176.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.8 t -65.58 -52.08 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.106 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.86 -50.31 24.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.268 0.556 . . . . 0.0 111.825 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.544 ' HB3' HG12 ' A' ' 51' ' ' ILE . 27.8 mt -74.42 -41.97 59.98 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.655 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.95 -32.04 76.5 Favored Glycine 0 N--CA 1.454 -0.161 0 CA-C-N 116.05 -0.523 . . . . 0.0 113.048 -174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.0 p -67.84 -26.18 65.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.153 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -69.61 -34.16 73.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.09 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.481 ' HG3' ' OE1' ' A' ' 50' ' ' GLU . 12.1 ttpp -64.21 -22.3 66.89 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.549 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.89 96.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.494 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.2 m 61.25 42.59 11.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.063 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.947 HD11 ' HA ' ' A' ' 47' ' ' ALA . 50.4 tp -64.55 157.11 27.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.964 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.99 147.93 41.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.196 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.7 t0 66.16 176.78 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.058 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 20.4 p -78.46 121.4 24.5 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.762 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.36 172.65 13.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.553 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.438 ' H ' ' HG3' ' A' ' 50' ' ' GLU . 33.6 m . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.561 -0.733 . . . . 0.0 109.493 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . 0.484 ' HA2' ' OG ' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.809 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 23.2 Cg_exo -66.78 152.15 81.08 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 123.153 2.569 . . . . 0.0 111.975 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 55.9 tp -74.92 93.05 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.203 0.525 . . . . 0.0 110.177 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 90.62 -64.83 2.79 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.215 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.58 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 34.7 t -163.98 -58.79 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' -3' ' ' SER . 9.4 Cg_endo -88.26 99.74 0.41 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.245 1.963 . . . . 0.0 113.522 -171.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.809 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 4.3 mm-40 -78.74 137.79 37.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.005 169.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -121.52 121.32 37.22 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpt -141.9 137.53 31.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.295 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.44 155.63 42.7 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.9 -171.3 34.93 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.665 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.51 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -113.21 157.06 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.06 179.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.585 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.5 mm? -134.87 155.18 51.11 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.752 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -71.74 126.76 30.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.351 173.573 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -123.06 124.24 42.67 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.992 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -74.68 99.58 3.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.66 -69.84 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -162.08 171.37 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.553 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -57.04 -35.61 69.5 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.89 -41.4 87.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 111.702 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 p -87.35 -28.48 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.929 0.395 . . . . 0.0 111.561 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.29 -91.21 1.64 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.18 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 3.5 p-90 -140.1 140.59 36.1 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -131.29 123.82 19.89 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 120.741 0.305 . . . . 0.0 111.131 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.0 129.31 21.6 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.646 2.23 . . . . 0.0 111.945 174.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 31' ' ' ASP . 25.1 mmt180 -120.66 155.34 34.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.705 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.413 ' HE3' HG12 ' A' ' 4' ' ' VAL . 62.3 t-105 -94.34 121.54 35.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD2' HD23 ' A' ' 5' ' ' LEU . 98.5 m-85 -122.91 147.79 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.102 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.7 m -134.44 136.22 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.256 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -103.19 119.34 38.69 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -144.6 121.11 11.05 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.953 -176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 60.75 29.76 19.23 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.898 171.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.13 7.12 83.83 Favored Glycine 0 C--N 1.322 -0.237 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.568 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.4 mm -115.05 134.37 58.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -104.42 110.68 23.04 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -108.04 140.32 41.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -103.61 146.04 29.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.783 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.793 ' HE1' ' H ' ' A' ' 40' ' ' SER . 70.1 m-85 -138.08 155.42 48.8 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.064 0.459 . . . . 0.0 110.504 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' NH1' ' A' ' 18' ' ' ARG . 2.2 m-20 -73.17 -27.72 61.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.056 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 16.7 t -168.56 -176.96 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.124 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.82 -38.16 88.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.202 0.525 . . . . 0.0 109.871 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -69.51 -20.94 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.082 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' H ' ' A' ' 32' ' ' SER . 36.0 t70 -82.69 -15.03 53.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.175 0.512 . . . . 0.0 110.561 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -63.62 -44.48 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.885 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.1 t -65.75 -27.71 68.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.933 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.0 mmtm -63.06 -36.54 83.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.751 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.9 91.18 0.18 Allowed Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.228 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.793 ' H ' ' HE1' ' A' ' 30' ' ' TYR . 58.4 m -56.32 133.63 52.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.059 0.457 . . . . 0.0 111.155 177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.576 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.6 mptt -77.75 -12.63 59.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.842 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.91 125.85 7.23 Favored Glycine 0 N--CA 1.441 -1.009 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.248 174.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.4 m -138.81 173.3 11.72 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt -110.45 119.63 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.384 0.611 . . . . 0.0 109.937 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -83.48 113.8 21.04 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.941 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.644 ' O ' HD21 ' A' ' 95' ' ' LEU . 94.9 mmm -64.74 -27.7 69.08 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.71 -10.41 59.35 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.915 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.67 -6.69 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.26 0.553 . . . . 0.0 110.235 176.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.721 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.7 t -121.83 125.28 46.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.869 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.614 ' HB2' HG23 ' A' ' 64' ' ' ILE . 26.7 mt-10 -87.25 133.66 33.64 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.272 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.488 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -97.97 113.32 32.22 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 164.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HD2' HG21 ' A' ' 64' ' ' ILE . 3.2 mtpt -99.91 108.72 21.03 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.79 0.805 . . . . 0.0 109.667 -170.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.488 HG23 HG13 ' A' ' 51' ' ' ILE . 41.0 t -117.34 126.73 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.097 -174.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -138.83 135.91 35.07 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.574 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 p -57.25 106.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 123.466 0.479 . . . . 0.0 110.049 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.28 -74.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.71 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.92 ' HB3' ' HD3' ' A' ' 60' ' ' ARG . 3.1 t70 -150.57 -166.24 2.49 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.961 0.41 . . . . 0.0 111.201 -171.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.577 ' OD1' HG23 ' A' ' 59' ' ' THR . 35.0 t-20 -70.1 133.57 47.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.575 -178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.852 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 39.4 p 55.01 -110.31 0.55 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.039 0.935 . . . . 0.0 112.881 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.92 ' HD3' ' HB3' ' A' ' 57' ' ' ASP . 10.2 ptm180 32.76 97.04 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.473 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 1.2 mpp? -133.93 157.09 46.9 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.47 138.72 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.061 -0.399 . . . . 0.0 111.831 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.15 121.45 43.8 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.614 HG23 ' HB2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -127.89 117.0 44.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.433 0.635 . . . . 0.0 111.304 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.915 HD13 HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -125.43 118.25 24.87 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.532 179.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.605 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.1 Cg_exo -58.43 111.85 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.92 2.413 . . . . 0.0 112.077 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 133.98 -62.68 0.62 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.331 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -104.23 -60.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.689 -0.115 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' H ' HG23 ' A' ' 65' ' ' ILE . 11.1 pt20 48.16 -160.85 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.346 1.058 . . . . 0.0 113.561 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.5 t60 65.84 48.97 1.75 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.091 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -120.04 111.27 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.206 176.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -101.01 139.14 37.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.585 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -120.98 137.81 54.46 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -175.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.752 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 18.1 ttpp -150.38 120.27 7.12 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.08 -179.15 4.78 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.758 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.799 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.3 t -62.22 -57.74 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.093 0.473 . . . . 0.0 110.086 177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.459 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 11.0 p30 -142.65 175.03 10.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.603 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.27 -44.65 16.66 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -44.63 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.085 0.469 . . . . 0.0 111.154 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.799 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.8 mm-40 -61.2 -38.63 87.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.254 175.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.852 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 22.0 ttp180 -57.23 -45.87 83.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.982 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 86' ' ' VAL . 56.3 tp60 -62.41 -34.52 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.582 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HD3' ' OE1' ' A' ' 80' ' ' GLU . 68.1 mtp180 -66.08 -44.51 84.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.739 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.527 ' CZ2' HD21 ' A' ' 5' ' ' LEU . 94.9 m95 -66.67 -35.81 81.05 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 121.095 0.474 . . . . 0.0 109.957 175.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.489 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -63.51 -32.95 74.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.724 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.6 t -64.2 -51.6 66.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.792 175.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.74 -51.19 20.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.048 0.452 . . . . 0.0 111.627 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.0 mt -74.89 -44.86 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.791 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -62.43 -36.75 93.57 Favored Glycine 0 CA--C 1.513 -0.055 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.131 -174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.484 ' OG ' ' HA2' ' A' ' -7' ' ' GLY . 47.5 m -61.98 -28.68 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.19 0.519 . . . . 0.0 110.172 176.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 20.3 t -71.3 -36.02 71.5 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.713 176.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -70.78 -43.09 69.45 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 121.142 0.496 . . . . 0.0 110.525 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.39 103.18 1.57 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.021 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.4 m 66.3 63.85 0.53 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.196 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.67 ' HG ' ' H ' ' A' ' 96' ' ' THR . 14.3 tp -93.32 -169.83 2.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.838 178.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.67 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -70.78 -179.05 2.05 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.3 0.571 . . . . 0.0 112.345 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -71.32 174.61 6.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.162 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 17.9 p 56.29 61.23 2.79 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.207 1.003 . . . . 0.0 112.592 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -98.79 112.03 24.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.684 174.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 C--O 1.249 1.078 0 O-C-N 123.605 0.565 . . . . 0.0 110.993 -175.751 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.687 ' HB3' ' H ' ' A' ' -1' ' ' GLU . 10.2 Cg_endo -87.41 100.91 0.5 Allowed 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.464 2.109 . . . . 0.0 111.994 -176.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 65.3 tp -107.94 111.07 22.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.998 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.74 -63.75 4.19 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 33.8 t -90.9 120.05 68.79 Favored Pre-proline 0 N--CA 1.446 -0.66 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 175.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 22.9 Cg_exo -65.06 135.59 44.5 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.726 2.284 . . . . 0.0 111.62 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.687 ' H ' ' HB3' ' A' ' -6' ' ' PRO . 47.8 mt-10 -73.15 148.22 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.371 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -103.51 122.95 45.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.972 0.415 . . . . 0.0 110.039 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 tpt -127.29 135.57 50.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.357 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.56 159.03 43.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.905 0.383 . . . . 0.0 111.339 -178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.44 -167.22 28.58 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.498 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.1 m -117.73 159.89 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.245 0.523 . . . . 0.0 110.6 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.754 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -135.8 159.79 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.717 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -68.53 127.7 33.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.292 172.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -121.18 117.7 27.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.058 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 72.2 t-105 -73.38 131.75 42.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.652 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 p -117.95 -73.24 0.65 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -139.8 155.24 47.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -71.48 -17.25 62.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.974 0.416 . . . . 0.0 110.071 -177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.01 -41.42 64.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.678 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -84.91 -36.33 21.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.204 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.28 -102.84 2.62 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.594 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 7.1 p-90 -137.91 147.66 44.6 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.407 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 17.1 mm-40 -127.93 122.1 22.18 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 31.9 Cg_endo -64.26 123.75 12.32 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.062 1.841 . . . . 0.0 111.577 172.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.21 156.52 34.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.255 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -94.27 122.5 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.095 0.474 . . . . 0.0 110.262 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' O ' ' HH2' ' A' ' 84' ' ' TRP . 89.9 m-85 -122.99 145.26 48.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.378 -178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -135.94 136.28 49.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.81 118.82 37.66 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 174.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -147.34 121.79 9.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.199 -175.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 56.89 42.02 27.04 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.609 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.95 5.14 84.31 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.837 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.442 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 38.6 mm -116.45 132.34 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -104.48 109.0 20.71 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 p -108.82 148.79 30.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.05 0.452 . . . . 0.0 111.391 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -121.07 135.09 55.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.096 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 40' ' ' SER . 97.1 m-85 -132.33 170.68 14.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.591 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -71.55 -39.86 70.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.804 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.486 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 68.9 m -156.75 -178.21 7.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.208 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.6 -49.61 76.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.114 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.91 -30.78 71.12 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.104 0.478 . . . . 0.0 111.302 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.571 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 38.8 t70 -69.06 -24.01 64.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.508 -177.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 30' ' ' TYR . 94.4 t -66.03 -42.34 91.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.212 176.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.0 m -67.04 -19.7 65.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.52 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 34.1 mmtt -65.74 -38.77 90.05 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.457 0.646 . . . . 0.0 110.546 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.11 48.72 3.49 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.801 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.54 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 33.0 m -71.02 140.98 50.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.106 0.479 . . . . 0.0 110.858 178.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 9.9 mptt -78.48 -0.15 28.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.826 -175.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.15 90.25 0.43 Allowed Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.158 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.442 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 9.7 p -137.7 157.18 47.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.047 0.451 . . . . 0.0 111.279 -176.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 88.9 mt -112.56 124.28 69.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.164 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -79.5 114.65 18.59 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.081 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.661 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.7 mtp -62.82 -31.77 72.83 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.289 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.534 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -71.01 -9.62 58.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.882 HG13 HD13 ' A' ' 65' ' ' ILE . 9.1 p -124.62 2.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.781 0.8 . . . . 0.0 109.899 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.681 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 31.3 t -129.21 128.19 42.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.324 -177.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.576 ' HB2' HG23 ' A' ' 64' ' ' ILE . 49.5 mt-10 -86.81 138.96 31.16 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.054 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.514 HG13 HG23 ' A' ' 53' ' ' VAL . 1.8 tp -98.72 116.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 166.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.747 ' HE2' HG21 ' A' ' 64' ' ' ILE . 29.5 mmtt -83.01 106.64 14.99 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.98 -169.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 92' ' ' LYS . 72.1 t -138.57 107.06 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.927 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -124.66 -89.46 0.58 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.544 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m -108.89 41.94 1.51 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.471 0.653 . . . . 0.0 109.79 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB1' ' HD3' ' A' ' 60' ' ' ARG . . . -102.88 80.27 1.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.329 -177.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.845 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 17.5 m-20 -104.21 41.6 1.29 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.724 -176.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.681 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 23.8 t-20 -162.48 88.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 111.723 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.641 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 22.4 p 67.06 -38.82 0.34 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 168.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -89.12 127.97 35.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -168.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.421 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.9 mpp? -141.14 157.83 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.797 -1.092 . . . . 0.0 108.895 174.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -123.43 141.21 52.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.842 -0.536 . . . . 0.0 111.074 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.04 120.47 41.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.747 HG21 ' HE2' ' A' ' 52' ' ' LYS . 1.2 tp -124.56 115.76 45.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.428 0.632 . . . . 0.0 111.56 -176.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.882 HD13 HG13 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -128.45 114.05 19.62 Favored Pre-proline 0 N--CA 1.448 -0.551 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.672 177.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.677 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.5 Cg_exo -54.12 115.18 2.19 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.096 2.531 . . . . 0.0 112.945 -172.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.95 -55.21 0.55 Allowed Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.686 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 38.6 mt-10 -88.73 -71.84 0.57 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.624 ' H ' HG23 ' A' ' 65' ' ' ILE . 10.3 pt20 43.48 -157.72 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.427 1.08 . . . . 0.0 113.609 169.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 65.7 29.94 10.53 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.493 0.663 . . . . 0.0 109.95 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -105.25 111.75 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.703 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.43 ' HD2' ' HE2' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -106.97 141.48 38.12 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.754 ' HG3' ' HG ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -121.17 137.03 54.86 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.143 -174.066 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 85.4 tttt -148.13 120.53 8.45 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 169.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.94 176.23 9.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.373 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.898 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 79.2 t -55.88 -54.68 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.064 0.459 . . . . 0.0 110.649 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.521 ' C ' HG22 ' A' ' 59' ' ' THR . 32.1 p30 -143.72 177.98 8.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.304 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -54.61 -39.18 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 111.22 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.44 -46.06 88.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.834 177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.898 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 6.6 mm-40 -60.87 -36.44 79.19 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.301 0.572 . . . . 0.0 110.349 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.845 ' NH1' ' HA ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -56.75 -40.32 75.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.989 174.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.496 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 56.9 tp60 -64.92 -33.9 77.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.037 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 57.0 mtt180 -63.66 -44.1 94.77 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.096 0.474 . . . . 0.0 110.509 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.518 ' HB3' HD12 ' A' ' 88' ' ' LEU . 95.9 m95 -68.27 -35.33 77.71 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.073 175.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.626 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.5 mp -63.15 -31.15 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.932 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.86 -51.64 67.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.705 174.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.09 25.18 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.084 0.469 . . . . 0.0 112.071 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 84' ' ' TRP . 23.4 mt -73.98 -40.13 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.521 . . . . 0.0 111.612 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -69.94 -30.02 70.43 Favored Glycine 0 CA--C 1.512 -0.129 0 CA-C-N 115.773 -0.648 . . . . 0.0 113.327 -173.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 p -63.96 -30.78 71.83 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 50.8 m -69.77 -37.56 76.41 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.752 173.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.527 ' HD3' ' HB ' ' A' ' 53' ' ' VAL . 16.1 ttpp -59.46 -21.1 59.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.47 91.36 0.12 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.947 0.404 . . . . 0.0 111.885 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t 66.35 53.07 1.03 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.676 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.661 HD21 ' O ' ' A' ' 46' ' ' MET . 19.0 tp -103.04 131.06 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.364 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.7 p 53.01 138.24 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -80.23 159.51 25.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.664 173.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.2 p 48.78 51.57 15.57 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.438 0.637 . . . . 0.0 110.66 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -67.36 163.89 19.75 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.028 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.1 p . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.972 -1.013 . . . . 0.0 111.795 -177.006 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . 0.451 ' HA2' ' OG ' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.98 128.5 23.16 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.834 2.356 . . . . 0.0 111.361 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 50.4 tp -89.31 118.18 28.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 82.1 -73.46 2.63 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.296 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.824 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 11.2 t -161.45 -44.51 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.464 0 CA-C-O 118.857 -0.592 . . . . 0.0 112.224 -177.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.824 ' HD2' ' H ' ' A' ' -3' ' ' SER . 0.9 OUTLIER -44.57 107.54 0.1 Allowed 'Trans proline' 0 C--N 1.365 1.403 0 C-N-CA 123.01 2.473 . . . . 0.0 113.183 178.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -122.13 68.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.431 -0.804 . . . . 0.0 108.971 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 78.9 t80 -125.85 129.73 49.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.172 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tpt -140.35 139.7 35.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -140.39 163.68 32.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.212 0.53 . . . . 0.0 111.578 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 143.37 -173.33 24.4 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.431 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -112.26 157.58 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 117.666 0.733 . . . . 0.0 110.565 179.136 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD21 ' CE2' ' A' ' 84' ' ' TRP . 3.6 mm? -132.41 150.07 52.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.187 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.676 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -71.49 119.84 16.21 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.808 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -123.52 123.41 40.55 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -85.56 128.95 34.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.579 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.0 p -109.98 -81.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.708 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -127.09 156.78 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -68.45 -21.97 64.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.42 -41.02 63.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.001 0.429 . . . . 0.0 110.936 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.647 ' HB ' ' NE2' ' A' ' 16' ' ' GLN . 3.1 p -82.34 -40.4 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.292 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.49 -125.85 8.72 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.749 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.615 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.7 p-90 -110.22 136.38 49.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.647 ' NE2' ' HB ' ' A' ' 13' ' ' THR . 23.5 mp0 -121.37 120.88 28.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.526 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.96 126.24 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.277 1.985 . . . . 0.0 111.983 170.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.602 HH11 ' HA ' ' A' ' 31' ' ' ASP . 22.9 mmt180 -129.64 155.77 45.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.921 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -94.01 120.9 34.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.062 0.458 . . . . 0.0 110.179 -174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.49 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 58.7 m-85 -115.97 148.91 39.59 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.54 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' HE2' ' A' ' 30' ' ' TYR . 34.7 m -135.58 135.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.999 0.428 . . . . 0.0 110.445 175.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -102.78 120.3 40.36 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 172.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -138.88 106.19 5.52 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 123.299 0.374 . . . . 0.0 110.451 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 49.22 64.95 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.53 -10.47 55.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.978 -0.63 . . . . 0.0 113.986 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mm -114.86 130.91 68.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 117.859 0.829 . . . . 0.0 111.128 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.6 111.28 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -113.27 144.38 42.82 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 122.312 -0.242 . . . . 0.0 111.025 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 41.2 p90 -117.89 139.04 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.691 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.536 ' HE2' HG22 ' A' ' 21' ' ' VAL . 71.1 m-85 -130.57 177.85 7.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.765 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HA ' HH11 ' A' ' 18' ' ' ARG . 13.0 t70 -69.02 -38.47 79.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.433 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 11.5 p -172.5 -171.93 0.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.566 -176.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -44.93 86.61 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.284 0.365 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -58.69 -39.65 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.579 0.704 . . . . 0.0 110.861 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.51 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 26.6 t70 -74.0 -14.58 61.04 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.531 -172.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t -61.8 -38.9 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.499 . . . . 0.0 110.724 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.2 t -70.35 -23.04 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.344 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 13.8 mmtm -61.35 -40.69 95.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.325 0.583 . . . . 0.0 110.981 -177.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.85 115.72 3.45 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.112 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 p -77.44 136.5 38.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.287 0.565 . . . . 0.0 112.028 -174.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.4 mptt -93.03 -24.03 18.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.992 174.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -109.75 85.26 0.39 Allowed Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.762 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 m -108.08 161.07 15.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.7 mt -110.89 120.72 62.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.568 0.699 . . . . 0.0 110.323 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -83.84 114.47 21.66 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.43 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.42 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.7 mtp -63.99 -28.85 70.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.965 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.603 ' HA ' HD21 ' A' ' 95' ' ' LEU . . . -67.86 -15.24 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.995 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.885 HG13 HD13 ' A' ' 65' ' ' ILE . 8.2 p -125.0 0.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.525 0.678 . . . . 0.0 110.336 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.626 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 41.2 t -126.19 134.74 51.17 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.428 -176.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.66 ' HB2' HG23 ' A' ' 64' ' ' ILE . 53.3 mt-10 -89.36 134.76 33.93 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.444 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.654 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -99.91 115.88 41.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 165.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -85.38 109.34 18.34 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.234 0.54 . . . . 0.0 109.766 -172.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 51' ' ' ILE . 74.2 t -128.14 126.73 66.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.358 -175.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -155.2 130.63 9.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.217 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.472 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . 69.8 m 59.32 -172.15 0.11 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.932 0.77 . . . . 0.0 112.91 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.14 35.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.875 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.472 ' OD1' ' HB2' ' A' ' 55' ' ' SER . 3.9 m-20 -55.05 152.13 8.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.791 175.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.491 ' N ' HD22 ' A' ' 58' ' ' ASN . 0.9 OUTLIER -87.72 104.71 16.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.507 -177.213 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.599 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 43.4 p 52.44 59.49 4.47 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.744 177.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -128.56 99.48 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.804 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.786 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.1 mpp? -141.78 155.35 45.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.603 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -136.58 141.59 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.095 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.01 120.28 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.66 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -124.86 116.07 46.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.553 0.692 . . . . 0.0 111.027 -178.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.885 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -126.38 115.2 23.33 Favored Pre-proline 0 N--CA 1.447 -0.579 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.739 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.562 ' HD2' HD12 ' A' ' 65' ' ' ILE . 43.4 Cg_exo -56.55 114.81 2.08 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.918 2.412 . . . . 0.0 112.279 -175.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.78 -58.63 0.69 Allowed Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.804 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' C ' ' HG2' ' A' ' 69' ' ' GLN . 24.5 mt-10 -101.91 -62.4 1.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.437 ' HG2' ' C ' ' A' ' 68' ' ' GLU . 17.1 pt20 46.28 -162.25 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.337 1.055 . . . . 0.0 113.564 171.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 67.9 40.78 2.26 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.382 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -111.65 112.34 23.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.789 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -108.45 146.94 32.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.4 mtt -127.86 137.28 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.263 0.554 . . . . 0.0 112.205 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.676 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 78.8 tttt -138.28 122.11 17.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.225 166.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -79.72 -179.71 7.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.245 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.77 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 94.4 t -59.04 -55.74 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.11 0.481 . . . . 0.0 110.746 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.483 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 2.7 p-10 -145.56 170.68 15.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.838 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -49.33 -42.71 42.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.35 97.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.009 0.433 . . . . 0.0 111.412 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.77 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 20.7 mm-40 -64.8 -33.69 76.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.595 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.786 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 26.8 ttt180 -58.63 -45.23 89.7 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 173.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.0 tp60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.787 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -62.26 -45.53 92.88 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.055 0.455 . . . . 0.0 111.035 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.499 ' HB3' HD12 ' A' ' 88' ' ' LEU . 92.8 m95 -68.84 -36.6 78.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 109.937 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 81' ' ' ARG . 5.2 mp -60.34 -32.54 71.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.097 175.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 82' ' ' GLN . 41.8 t -62.78 -51.76 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.894 177.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.28 15.19 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.494 -0.482 . . . . 0.0 112.029 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.581 ' HB3' HG12 ' A' ' 51' ' ' ILE . 35.3 mt -73.48 -44.94 56.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.339 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.47 -33.27 86.79 Favored Glycine 0 C--O 1.229 -0.163 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.811 -173.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.451 ' OG ' ' HA2' ' A' ' -7' ' ' GLY . 19.9 m -65.24 -31.97 73.4 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.025 0.44 . . . . 0.0 110.193 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.1 t -70.51 -32.03 69.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.54 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.64 ' HA ' ' NH1' ' A' ' 99' ' ' ARG . 14.3 tttm -70.14 -39.95 75.07 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.902 0.382 . . . . 0.0 111.076 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.71 117.97 10.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.857 -176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m 63.84 38.84 8.75 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.405 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.674 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 58.0 tp -118.81 138.14 52.91 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.0 p 57.36 170.23 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.176 0.991 . . . . 0.0 112.66 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -106.14 151.35 24.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.99 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.4 p 48.87 61.57 3.03 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.834 0.709 . . . . 0.0 111.468 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.674 ' NH1' ' HB3' ' A' ' 95' ' ' LEU . 2.4 ttt180 -97.93 148.23 23.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.555 -175.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.208 179.18 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . 0.405 ' HA2' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.95 122.18 11.17 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.441 2.094 . . . . 0.0 111.281 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' -5' ' ' LEU . 0.2 OUTLIER -67.91 106.43 2.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.162 0.506 . . . . 0.0 110.024 -176.403 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.52 -68.67 3.31 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.05 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.545 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 72.4 m -162.72 -48.94 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.545 ' HD2' ' H ' ' A' ' -3' ' ' SER . 71.5 Cg_exo -50.74 110.65 0.42 Allowed 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.583 2.189 . . . . 0.0 113.469 -177.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -103.5 79.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.646 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 74.7 t80 -126.21 137.25 53.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.084 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -140.06 140.29 36.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.264 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -137.7 153.45 49.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.79 -165.67 28.82 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.26 160.87 18.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 117.12 0.46 . . . . 0.0 110.39 178.515 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -133.22 151.73 51.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.202 176.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.741 ' HD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -67.9 119.79 13.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.982 171.465 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 1.7 tmtp? -116.96 116.64 27.77 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -74.4 123.03 23.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.126 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 p -106.26 -65.26 1.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -155.24 166.77 32.53 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -70.33 -26.89 63.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.723 0.297 . . . . 0.0 110.817 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.85 -41.58 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.037 0.446 . . . . 0.0 111.129 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.4 p -86.11 -27.2 24.81 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.546 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.8 -121.67 5.49 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.633 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.741 ' HB2' ' HD1' ' A' ' 6' ' ' TYR . 5.3 p-90 -113.7 145.18 41.73 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 21.6 mm-40 -130.75 121.88 19.29 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.426 176.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 37.9 Cg_endo -67.71 114.98 3.51 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.643 2.228 . . . . 0.0 111.883 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -112.32 154.24 25.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -93.58 127.79 39.41 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.7 m-85 -129.69 145.52 51.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.835 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG22 ' HE1' ' A' ' 30' ' ' TYR . 27.9 m -134.09 136.4 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.976 0.417 . . . . 0.0 110.064 174.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 27' ' ' LEU . 3.0 tm? -102.29 119.44 38.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -144.44 131.3 20.27 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.16 0.505 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 57.73 31.53 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.123 173.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.69 8.32 87.0 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.066 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.0 mm -117.69 134.45 61.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 122.543 -0.386 . . . . 0.0 110.246 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -105.67 110.03 22.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -108.41 148.86 29.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.932 0.396 . . . . 0.0 111.151 -176.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -110.84 145.17 38.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.6 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 97.3 m-85 -133.96 162.63 31.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.484 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -72.53 -37.66 68.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.47 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.417 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 3.2 p -161.16 -176.72 5.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.889 -177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.19 -47.88 78.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.533 0.206 . . . . 0.0 111.521 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' OD2' ' HE2' ' A' ' 38' ' ' LYS . 17.1 t70 -71.7 -19.16 62.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.003 0.43 . . . . 0.0 110.61 -177.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.734 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 36.4 t70 -68.39 -18.05 64.37 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.128 0.49 . . . . 0.0 110.226 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.656 ' HA ' ' CE2' ' A' ' 30' ' ' TYR . 90.7 t -61.36 -41.5 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.915 174.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.1 t -68.25 -29.71 68.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.54 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.734 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 40.1 mmtt -66.9 -27.68 67.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.749 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.69 132.86 7.39 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.34 137.21 57.79 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.316 0.579 . . . . 0.0 111.745 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 5.6 mptt -81.11 -17.5 49.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.87 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.97 168.91 40.59 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.814 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.7 m -146.17 156.34 43.35 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.003 0.43 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.31 120.15 60.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.563 0.697 . . . . 0.0 109.468 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HG2' HG12 ' A' ' 48' ' ' VAL . 22.0 ttmt -84.08 104.35 14.07 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.427 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 94.7 mmm -59.2 -26.87 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 111.585 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.692 ' HA ' HD21 ' A' ' 95' ' ' LEU . . . -67.97 -15.62 63.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.937 178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.683 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -125.36 -2.48 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.434 0.635 . . . . 0.0 110.372 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.838 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 33.6 m -122.36 127.94 50.37 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.255 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.767 ' HB2' HG23 ' A' ' 64' ' ' ILE . 5.6 mm-40 -87.93 128.99 35.37 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.297 0.57 . . . . 0.0 110.726 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.62 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -97.92 122.5 49.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 169.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.704 ' HE3' HG21 ' A' ' 64' ' ' ILE . 13.3 mmtp -84.58 107.08 16.61 Favored 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.721 -172.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.62 HG23 HG13 ' A' ' 51' ' ' ILE . 88.8 t -135.52 111.82 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.005 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -125.67 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.278 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 p -113.02 163.99 14.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.057 0.456 . . . . 0.0 111.464 -176.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.548 ' HA ' HH12 ' A' ' 81' ' ' ARG . . . -78.89 64.39 3.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.658 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.49 -176.31 6.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -104.39 106.64 17.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.962 0.411 . . . . 0.0 110.472 -174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.624 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 73.6 p 52.21 61.97 2.93 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.208 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -131.91 94.34 3.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.49 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.2 mpp? -139.24 153.86 47.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.841 0.353 . . . . 0.0 110.368 175.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -136.76 139.74 42.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.002 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.94 121.01 43.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.767 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -123.42 115.7 46.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-O 121.451 0.643 . . . . 0.0 110.718 -179.182 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.838 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -130.28 119.94 18.83 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.936 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.9 Cg_exo -56.15 124.8 17.15 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.628 2.219 . . . . 0.0 111.96 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.68 -52.22 0.68 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.958 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 24.7 mt-10 -110.48 -68.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.74 -0.27 . . . . 0.0 110.8 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 2.3 pt20 48.62 -161.46 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.081 0.952 . . . . 0.0 113.326 174.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 64.78 50.95 1.92 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.698 0.761 . . . . 0.0 110.104 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -118.72 116.34 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.992 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -110.42 139.32 45.76 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.481 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 28.6 mtt -121.42 136.85 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.181 0.515 . . . . 0.0 111.378 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.695 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 81.0 tttt -134.98 121.1 20.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 169.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.94 178.93 7.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.845 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 80.5 t -58.6 -55.88 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.692 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.471 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -142.73 171.51 13.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.194 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.71 -41.43 31.77 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.08 90.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.814 0.34 . . . . 0.0 111.216 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.845 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 17.6 mm-40 -60.94 -36.11 78.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 109.92 177.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.624 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -56.73 -45.82 81.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.982 174.266 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.599 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 1.8 tt0 -68.31 -32.46 72.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.521 -176.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -61.44 -42.69 99.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.919 0.39 . . . . 0.0 110.631 176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -66.62 -38.84 87.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.145 173.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.599 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 6.7 mp -60.14 -32.72 71.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.507 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 82' ' ' GLN . 48.8 t -63.54 -51.74 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.006 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.97 25.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 0.0 111.597 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' HB3' HG12 ' A' ' 51' ' ' ILE . 25.4 mt -72.46 -37.26 68.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.235 0.54 . . . . 0.0 111.135 -176.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -68.85 -31.65 73.04 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.886 -0.674 . . . . 0.0 111.605 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -61.77 -35.91 79.51 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.7 m -66.8 -49.59 65.34 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.475 174.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -37.25 86.65 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.8 126.47 28.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.762 -178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.1 p 51.88 48.07 23.52 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.746 0.818 . . . . 0.0 112.344 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.692 HD21 ' HA ' ' A' ' 47' ' ' ALA . 32.5 tp -130.92 130.64 43.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 176.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.5 p 51.22 -177.74 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.22 170.98 10.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.123 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.2 p 51.7 57.9 6.05 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.914 0.759 . . . . 0.0 110.886 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 66.8 mtm180 -89.34 -175.67 4.82 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.296 -176.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.573 ' CG2' ' HE2' ' A' ' 52' ' ' LYS . 3.5 t . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.268 -0.872 . . . . 0.0 109.968 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . 0.424 ' HA2' ' HD3' ' A' ' -6' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.704 0 CA-C-O 120.065 -0.297 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.424 ' HD3' ' HA2' ' A' ' -7' ' ' GLY . 6.1 Cg_exo -77.29 95.32 1.07 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.732 2.288 . . . . 0.0 110.388 175.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -108.63 121.93 46.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.235 -171.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.47 -57.98 4.69 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 17.9 m -102.29 128.38 28.48 Favored Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.519 -0.341 . . . . 0.0 110.585 177.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 12.1 Cg_exo -70.38 136.94 32.54 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.015 2.477 . . . . 0.0 111.861 178.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -66.03 134.56 53.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.216 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -113.94 123.08 48.87 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt -137.27 137.16 38.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.759 0.314 . . . . 0.0 111.173 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -143.5 162.09 36.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.991 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.44 179.87 22.91 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.511 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -106.2 157.29 6.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.213 0.53 . . . . 0.0 110.155 178.711 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.594 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -131.41 151.34 51.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.034 177.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.673 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -70.62 99.84 1.73 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.945 175.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -99.01 115.37 28.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.024 0.44 . . . . 0.0 110.001 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.01 139.04 48.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.823 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -120.05 -68.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -143.38 163.23 33.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.08 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -62.79 -33.71 75.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.82 -41.07 62.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.987 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -84.25 -31.37 25.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.812 -176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.98 -119.16 5.03 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.616 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 12.4 p-90 -119.18 154.42 33.35 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.914 0.388 . . . . 0.0 110.29 -177.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -127.71 123.0 22.77 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.676 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.55 105.37 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.6 2.2 . . . . 0.0 111.91 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 32.7 mmt180 -111.25 150.55 29.45 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.371 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.409 ' CE3' HG12 ' A' ' 4' ' ' VAL . 39.3 t-105 -94.16 125.47 38.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.249 -173.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CD1' HD23 ' A' ' 5' ' ' LEU . 58.1 m-85 -120.13 148.08 44.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.999 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 m -135.69 136.58 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.468 177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.611 HD23 HD23 ' A' ' 27' ' ' LEU . 2.7 tm? -102.53 119.12 38.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.55 115.74 8.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.005 -174.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 54.33 38.69 29.92 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.833 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 2.95 86.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.383 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 43' ' ' SER . 37.6 mm -113.43 128.14 70.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.903 0.383 . . . . 0.0 110.247 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD23 HD23 ' A' ' 22' ' ' LEU . 2.8 tm? -100.76 108.79 20.71 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 m -108.0 146.63 32.24 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.7 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -116.18 146.12 42.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.916 0.389 . . . . 0.0 110.022 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.739 ' HE1' ' H ' ' A' ' 40' ' ' SER . 72.8 m-85 -136.57 169.71 17.25 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.64 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.86 -38.43 91.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.025 0.44 . . . . 0.0 110.191 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.449 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 13.7 p -172.06 -173.26 1.09 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.031 -177.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -56.34 -45.49 80.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 110.939 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.533 ' OD2' ' HE2' ' A' ' 38' ' ' LYS . 31.5 t70 -66.39 -33.49 75.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.035 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.789 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 32.5 t70 -71.46 -20.28 62.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.006 -177.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 30' ' ' TYR . 95.9 t -60.19 -40.42 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.27 0.557 . . . . 0.0 110.074 175.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.9 t -72.01 -28.27 63.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.545 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.789 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 48.5 mmtt -62.42 -46.29 89.23 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.347 0.594 . . . . 0.0 110.497 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.34 68.03 1.08 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.596 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.739 ' H ' ' HE1' ' A' ' 30' ' ' TYR . 72.4 m -67.91 142.78 55.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.059 0.457 . . . . 0.0 111.107 176.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -84.12 27.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.511 -175.178 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.37 118.28 3.9 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.687 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . 8.8 p -146.97 152.68 39.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -112.09 120.47 62.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.314 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HB3' HG12 ' A' ' 48' ' ' VAL . 31.9 ttmt -77.8 116.51 18.38 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.735 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.438 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.7 mtp -64.16 -30.84 71.88 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -9.76 54.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.655 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.915 HG13 HD13 ' A' ' 65' ' ' ILE . 9.8 p -126.2 1.21 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.223 0.535 . . . . 0.0 110.463 177.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.698 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 43.6 t -129.94 131.45 45.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -175.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.68 ' HB2' HG23 ' A' ' 64' ' ' ILE . 20.3 mt-10 -88.92 132.26 34.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.197 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.574 HG13 HG23 ' A' ' 53' ' ' VAL . 1.2 tp -98.61 119.59 46.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 165.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -84.24 106.95 16.26 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.397 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 51' ' ' ILE . 96.2 t -120.55 108.94 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.784 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -158.81 156.64 30.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.382 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.4 m 68.17 -174.25 0.19 Allowed 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.842 0.714 . . . . 0.0 111.9 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.34 145.27 52.07 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.301 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.746 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 7.4 p-10 -81.01 128.27 33.51 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.014 -177.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.464 ' HA ' ' CB ' ' A' ' 78' ' ' ALA . 32.8 t-20 -169.58 75.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.847 172.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.857 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 21.8 p 68.23 -41.6 0.45 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.402 1.481 . . . . 0.0 114.895 172.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -73.14 116.24 13.43 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -168.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.0 156.95 38.34 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.111 0.481 . . . . 0.0 111.17 165.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -121.01 143.81 48.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.481 -174.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -106.76 121.91 45.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.409 173.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -124.38 117.01 49.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.318 0.58 . . . . 0.0 110.779 -178.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.915 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.08 119.63 18.89 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.525 -178.274 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.615 ' HD2' HD12 ' A' ' 65' ' ' ILE . 52.2 Cg_exo -55.97 121.69 10.43 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.567 2.178 . . . . 0.0 111.659 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.4 -55.23 0.7 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -114.62 -65.47 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.512 ' HB2' HD12 ' A' ' 64' ' ' ILE . 9.3 pt20 52.77 -173.14 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 171.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 60.77 50.22 5.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 114.14 -1.391 . . . . 0.0 110.916 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.84 111.55 24.25 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.376 173.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -99.91 129.64 46.01 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.594 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 86.7 mtp -124.56 136.48 54.0 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.154 0.502 . . . . 0.0 109.841 -178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 50.9 tttm -132.5 127.01 34.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.9 177.72 8.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.862 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 42.6 t -59.91 -60.48 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.665 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.421 ' ND2' ' HG2' ' A' ' 80' ' ' GLU . 12.0 p30 -136.39 178.3 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.11 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 58' ' ' ASN . . . -49.8 -47.61 51.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.98 0.512 . . . . 0.0 112.275 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.15 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 111.109 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.862 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 13.3 mm-40 -63.97 -38.46 91.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.353 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.857 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 10.7 ttt180 -59.26 -44.32 92.42 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.546 173.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.553 ' O ' HG23 ' A' ' 86' ' ' VAL . 57.5 tp60 -59.87 -33.01 71.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.553 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -63.35 -46.18 87.73 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.138 0.494 . . . . 0.0 110.409 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.494 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.5 m95 -65.07 -37.71 88.43 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.811 176.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.617 HD13 ' HG2' ' A' ' 81' ' ' ARG . 6.3 mp -63.11 -32.1 73.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.507 178.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.0 t -63.55 -51.84 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.853 176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.21 -50.34 22.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.995 0.426 . . . . 0.0 111.896 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 84' ' ' TRP . 44.7 mt -72.84 -39.98 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.593 -177.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.85 -30.67 77.63 Favored Glycine 0 N--CA 1.453 -0.179 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.889 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.8 m -63.98 -28.41 69.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.03 0.443 . . . . 0.0 109.81 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.623 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 50.1 m -70.14 -49.66 48.34 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.743 174.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' HE2' ' HB ' ' A' ' 53' ' ' VAL . 17.3 ttpp -56.84 -42.64 80.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.481 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.09 100.21 0.74 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.405 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t 68.97 59.01 0.36 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.195 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.951 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 17.2 tp -101.61 -173.04 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.656 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.681 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -65.69 -176.63 0.38 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.87 177.12 0.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.166 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 21.3 p 52.5 64.78 1.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.706 -1.134 . . . . 0.0 112.512 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.951 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 61.3 mtm180 -121.25 91.65 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.46 174.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.342 -0.837 . . . . 0.0 111.729 -175.715 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.028 -0.429 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.78 ' HG2' ' HG3' ' A' ' -1' ' ' GLU . 99.2 Cg_exo -48.86 108.48 0.19 Allowed 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.794 2.996 . . . . 0.0 113.658 178.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.73 117.74 31.1 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 174.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 79.74 -55.5 4.48 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.018 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 18.9 p -65.8 132.02 94.75 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.04 121.13 9.35 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.105 2.537 . . . . 0.0 112.848 -176.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.78 ' HG3' ' HG2' ' A' ' -6' ' ' PRO . 37.9 tt0 -76.46 83.67 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.4 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -126.56 135.01 50.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.065 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.512 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 14.6 tpt -139.95 141.14 36.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.129 178.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.21 151.42 45.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 110.482 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.56 -170.26 33.49 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 m -117.04 160.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 117.309 0.554 . . . . 0.0 110.425 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' HG2' ' A' ' 73' ' ' MET . 3.0 mm? -135.26 150.97 50.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.199 177.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.765 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -74.61 120.08 19.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.065 172.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -113.78 117.56 31.81 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -67.9 131.48 45.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.818 0.342 . . . . 0.0 110.177 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 p -114.12 -79.44 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -141.53 162.25 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -63.09 -29.57 70.92 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.419 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.27 -40.75 64.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 111.588 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 p -88.08 -24.63 23.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.711 -177.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.85 -122.14 5.96 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.009 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.765 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 4.6 p-90 -108.75 144.08 37.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -177.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -130.86 122.76 19.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.987 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.35 131.05 14.64 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.67 2.247 . . . . 0.0 112.032 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -133.05 160.15 37.99 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -93.44 123.7 36.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.137 0.494 . . . . 0.0 110.268 -173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 55.8 m-85 -121.25 145.25 48.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.698 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 m -135.28 138.38 48.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.009 0.433 . . . . 0.0 110.424 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.521 HD23 HD23 ' A' ' 27' ' ' LEU . 2.8 tm? -100.57 118.78 37.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 176.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -134.63 106.6 7.05 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.001 0.905 . . . . 0.0 111.286 -176.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 53.39 60.14 3.91 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 114.392 -1.276 . . . . 0.0 112.118 172.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.81 -8.7 58.98 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.772 -0.728 . . . . 0.0 114.055 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.89 136.21 51.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 117.495 0.648 . . . . 0.0 110.278 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 HD23 ' A' ' 22' ' ' LEU . 3.2 tm? -102.86 110.21 22.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 175.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -107.6 130.63 54.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.579 0.704 . . . . 0.0 111.364 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 31.2 p90 -100.67 140.99 34.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.022 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.9 m-85 -136.41 159.05 42.94 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.15 0.5 . . . . 0.0 110.024 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -76.21 -23.21 54.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.503 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.489 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 14.4 t -158.22 -174.08 4.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.881 178.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.49 -52.74 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.36 -21.53 66.24 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.76 0.791 . . . . 0.0 110.366 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.612 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 27.0 t70 -67.03 -20.81 65.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.837 -178.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.604 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 97.0 t -59.9 -37.11 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.124 0.487 . . . . 0.0 111.132 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.7 m -75.49 -21.54 57.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.676 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.612 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 47.7 mmtt -65.23 -36.35 83.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.137 0.494 . . . . 0.0 111.323 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.07 126.87 4.8 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.484 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.2 p -89.22 138.29 31.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.102 0.477 . . . . 0.0 111.242 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.26 30.56 6.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.998 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.36 -87.75 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.832 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 50.9 m 69.21 171.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.389 0.614 . . . . 0.0 111.504 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.472 HG23 ' SG ' ' A' ' 49' ' ' CYS . 77.4 mt -111.82 120.72 62.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.184 -176.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 25.9 ttmt -83.91 103.65 13.35 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.943 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.638 ' O ' HD21 ' A' ' 95' ' ' LEU . 94.6 mmm -57.98 -26.17 61.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.861 0.363 . . . . 0.0 111.707 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -70.37 -13.79 62.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.8 HG13 HD13 ' A' ' 65' ' ' ILE . 6.3 p -126.1 2.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.512 0.672 . . . . 0.0 109.971 176.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.906 ' SG ' ' HB ' ' A' ' 65' ' ' ILE . 37.5 m -127.87 117.96 22.77 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.818 -177.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' HB2' HG23 ' A' ' 64' ' ' ILE . 2.0 mp0 -87.35 135.26 33.39 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.414 0.626 . . . . 0.0 110.706 -176.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.682 HG13 HG23 ' A' ' 53' ' ' VAL . 1.9 tp -98.39 118.85 45.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . 25.5 mmmt -85.07 107.75 17.32 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 121.433 0.635 . . . . 0.0 109.726 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.682 HG23 HG13 ' A' ' 51' ' ' ILE . 63.9 t -134.98 107.77 8.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.697 -178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -148.22 -50.74 0.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -62.78 -32.69 73.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.15 -176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 58.06 37.05 26.47 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.276 0.56 . . . . 0.0 110.918 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.535 ' HB3' ' HD2' ' A' ' 60' ' ' ARG . 4.5 t0 -85.4 179.77 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.544 -176.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.662 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 20.0 t-20 -69.17 99.62 1.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.857 0.361 . . . . 0.0 111.384 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.668 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 67.6 p 54.82 39.54 31.49 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 175.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.662 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 97.7 mtt180 -118.86 98.11 6.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.916 0.389 . . . . 0.0 111.202 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.465 ' HG2' HD11 ' A' ' 85' ' ' LEU . 1.3 mpp? -134.65 156.6 48.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.47 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 52' ' ' LYS . 28.2 tt0 -127.1 136.89 52.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.725 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -109.24 121.08 44.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -123.55 118.62 54.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-O 121.236 0.541 . . . . 0.0 110.918 -179.049 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.906 ' HB ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -126.01 116.84 23.96 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.794 177.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.601 ' HD2' HD12 ' A' ' 65' ' ' ILE . 31.3 Cg_exo -59.0 113.22 1.48 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.959 2.439 . . . . 0.0 112.101 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 131.58 -59.89 0.68 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.861 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.52 -59.42 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 65' ' ' ILE . 25.5 pt20 45.04 -157.32 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.152 0.981 . . . . 0.0 113.188 177.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 t60 68.7 43.88 1.24 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.521 0.677 . . . . 0.0 110.154 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -117.0 112.09 20.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.485 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -105.64 142.55 35.19 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.442 ' HG2' ' HG ' ' A' ' 5' ' ' LEU . 19.9 mtt -121.75 137.85 54.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.117 0.484 . . . . 0.0 111.428 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.699 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 32.2 tttm -140.72 120.63 13.58 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 169.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.51 -178.23 6.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.765 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.5 t -60.83 -61.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 110.474 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -140.12 164.4 30.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.659 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.05 -40.94 15.92 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -172.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.58 98.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.887 0.375 . . . . 0.0 111.684 177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.765 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 9.5 mm-40 -60.96 -39.26 88.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.349 0.595 . . . . 0.0 109.761 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.668 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 6.3 ttp180 -57.75 -44.63 86.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.454 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.539 ' HB2' HH21 ' A' ' 81' ' ' ARG . 27.4 tp60 -61.97 -35.06 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.652 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -65.02 -44.63 88.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.594 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.408 ' HB3' HD12 ' A' ' 88' ' ' LEU . 91.5 m95 -62.88 -39.92 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.204 0.526 . . . . 0.0 110.129 173.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.532 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.5 mp -60.88 -32.85 72.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.82 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 82' ' ' GLN . 56.6 t -65.88 -51.59 59.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.558 0.218 . . . . 0.0 111.074 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.44 -49.16 35.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.607 -177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 84' ' ' TRP . 25.1 mt -72.2 -37.02 69.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.049 0.452 . . . . 0.0 110.681 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.89 -29.17 74.62 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.889 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -57.12 -41.23 78.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 33.5 t -69.76 -41.16 75.56 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.781 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 92' ' ' LYS . 22.1 ttpt -58.06 -40.55 81.28 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.023 0.439 . . . . 0.0 111.547 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.08 95.28 2.52 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.131 -177.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.6 t 69.69 78.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.779 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.06 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 13.5 tp -107.96 -168.36 1.36 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.052 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.633 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -73.19 177.86 4.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.998 0.428 . . . . 0.0 112.017 177.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.54 167.22 4.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.089 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.0 p 55.76 75.84 0.31 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.979 0.912 . . . . 0.0 112.728 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 1.06 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 77.2 mtm180 -120.12 123.11 42.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.623 173.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.3 m . . . . . 0 C--O 1.253 1.274 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.264 -179.026 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.886 0 N-CA-C 112.066 -0.413 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -83.9 123.1 3.13 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.877 2.385 . . . . 0.0 111.954 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 90.7 mt -117.25 92.16 3.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -54.97 4.52 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.879 -177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 9.0 p -71.63 145.49 89.96 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.37 -0.415 . . . . 0.0 110.543 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.44 142.36 54.01 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.508 2.139 . . . . 0.0 111.838 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.17 142.61 41.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.296 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -122.77 120.96 35.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.739 177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.605 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.44 145.89 37.57 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.047 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -157.6 149.14 21.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.735 0.302 . . . . 0.0 110.274 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.38 -167.96 35.79 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.464 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.3 m -113.75 160.46 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 117.636 0.718 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.5 mm? -135.29 158.45 44.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.933 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.726 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.3 m-85 -71.39 99.41 1.97 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -98.62 118.28 34.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -69.8 132.21 45.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.597 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -116.2 -73.03 0.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.068 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -143.33 161.53 38.09 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -63.42 -26.26 68.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.832 0.349 . . . . 0.0 111.086 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.78 -41.57 62.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.918 0.39 . . . . 0.0 111.462 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 p -88.59 -24.12 22.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.992 -176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.2 -116.2 4.27 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.143 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.709 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.1 p-90 -111.0 144.95 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.833 0.349 . . . . 0.0 110.169 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -131.56 124.01 19.76 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.94 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -62.9 130.2 28.5 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.337 2.025 . . . . 0.0 111.524 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -132.82 150.71 52.13 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.405 ' H ' ' HD3' ' A' ' 18' ' ' ARG . 49.2 t-105 -94.21 126.2 39.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.22 0.533 . . . . 0.0 110.503 -173.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.503 ' CD1' HD23 ' A' ' 5' ' ' LEU . 96.3 m-85 -126.04 148.52 49.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.851 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' O ' HD22 ' A' ' 27' ' ' LEU . 31.3 m -131.34 135.8 58.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 3.1 tm? -103.12 119.79 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 174.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -139.54 107.72 5.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.659 -176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.5 39.27 30.0 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.979 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 -3.16 82.1 Favored Glycine 0 C--N 1.328 0.116 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.728 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mm -107.57 131.46 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.788 0.328 . . . . 0.0 110.17 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD23 HD23 ' A' ' 22' ' ' LEU . 2.1 tm? -108.25 109.87 21.33 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.6 m -109.79 144.5 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.79 0.328 . . . . 0.0 111.017 -175.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -106.98 140.02 40.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.156 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 71.6 m-85 -138.23 156.23 47.89 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.146 0.498 . . . . 0.0 110.535 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -75.99 -28.29 57.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.086 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.478 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 40.5 p -158.47 178.39 10.2 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.015 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -66.28 -31.97 73.09 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.407 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' H ' ' A' ' 32' ' ' SER . 31.9 t70 -68.68 -19.36 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.599 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.441 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 92.8 t -62.56 -38.12 80.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.805 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.7 t -67.55 -23.63 65.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.003 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -66.39 -41.09 89.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.77 90.46 0.67 Allowed Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.384 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -63.83 140.17 58.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 110.998 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 8.1 mptt -84.54 7.34 20.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.369 0.604 . . . . 0.0 110.718 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.71 126.19 5.22 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.189 175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.7 m -145.03 171.96 13.74 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.482 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 71.8 mt -110.8 121.18 63.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.052 0.453 . . . . 0.0 109.937 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -85.5 112.2 20.69 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.014 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.697 ' O ' HD21 ' A' ' 95' ' ' LEU . 90.6 mmm -66.83 -28.08 68.07 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.359 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.911 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -64.0 -15.53 59.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.743 0.306 . . . . 0.0 111.526 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 65' ' ' ILE . 9.3 p -125.44 4.85 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-O 121.622 0.725 . . . . 0.0 110.057 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.771 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 18.7 t -125.39 128.32 47.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.607 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.581 ' HB2' HG23 ' A' ' 64' ' ' ILE . 8.1 mt-10 -89.31 132.89 34.71 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.459 0.647 . . . . 0.0 111.314 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.607 HG13 HG23 ' A' ' 53' ' ' VAL . 1.7 tp -97.64 123.02 49.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 168.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 9.5 mmmm -84.99 108.12 17.45 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.841 -171.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.607 HG23 HG13 ' A' ' 51' ' ' ILE . 94.0 t -135.21 104.62 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.867 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 25.6 t-80 174.96 -46.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.212 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.4 p -107.18 19.56 20.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.212 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.23 151.96 20.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.156 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -100.05 -155.0 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -58.84 132.75 54.88 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 171.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.902 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 19.8 p 57.19 -149.44 0.46 Allowed 'General case' 0 CA--C 1.535 0.383 0 O-C-N 123.714 0.634 . . . . 0.0 110.884 -176.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.551 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 17.2 ptt180 36.01 99.86 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 174.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.618 ' HG3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -138.69 157.54 45.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.597 173.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -111.02 143.86 41.05 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.996 0.427 . . . . 0.0 111.789 -167.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -117.1 122.13 43.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.49 174.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -123.67 115.73 46.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.798 0.809 . . . . 0.0 110.791 -178.69 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.09 119.13 15.49 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.141 -177.439 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.579 ' HD2' HD12 ' A' ' 65' ' ' ILE . 39.5 Cg_exo -60.29 108.39 0.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.206 1.938 . . . . 0.0 111.823 -179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.24 -66.3 0.51 Allowed Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.993 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -97.9 -63.02 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.579 ' H ' HG23 ' A' ' 65' ' ' ILE . 12.2 pt20 49.22 -168.65 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.462 1.105 . . . . 0.0 113.092 176.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 64.93 27.87 12.7 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.321 175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -93.73 111.49 23.19 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.405 0.622 . . . . 0.0 110.349 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -108.61 121.13 44.36 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 176.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.478 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 76.5 mtp -121.67 137.07 54.9 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.044 0.45 . . . . 0.0 109.951 -175.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.726 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 40.2 ttmt -132.27 129.46 39.63 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.23 177.33 6.91 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.261 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.873 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 63.7 t -58.67 -59.09 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.423 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.6 p30 -136.99 176.8 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.187 178.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -51.06 -42.99 60.9 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 83' ' ' ARG . . . -64.33 -41.97 96.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.958 0.408 . . . . 0.0 110.997 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.873 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 22.0 mm-40 -61.43 -39.62 91.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.468 0.652 . . . . 0.0 110.072 176.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.902 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 18.2 ttp180 -58.54 -44.28 89.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.73 174.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.543 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.3 tp60 -62.27 -32.86 73.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.806 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 79' ' ' ALA . 54.2 mtp180 -63.03 -45.89 90.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.287 0.565 . . . . 0.0 110.726 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -67.82 -36.38 80.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.05 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.618 HD11 ' HG3' ' A' ' 61' ' ' MET . 5.9 mp -66.98 -30.24 70.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.797 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.1 t -64.2 -51.25 71.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 121.964 -0.46 . . . . 0.0 111.011 172.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.72 -49.18 41.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.028 0.442 . . . . 0.0 111.337 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.6 mt -73.29 -39.31 65.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.639 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 85' ' ' LEU . . . -65.25 -29.57 75.61 Favored Glycine 0 CA--C 1.511 -0.201 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.169 -176.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.0 p -60.47 -31.34 70.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.314 0.578 . . . . 0.0 109.495 176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 22.7 t -70.68 -36.24 73.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.695 174.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -68.91 -22.9 64.13 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.085 0.469 . . . . 0.0 110.474 179.459 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.07 106.49 6.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.461 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.1 p 49.81 72.48 0.32 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.489 0.716 . . . . 0.0 111.888 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' A' ' 47' ' ' ALA . 13.7 tp -98.04 158.92 15.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.888 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 p -75.4 159.52 31.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.35 -0.386 . . . . 0.0 112.003 -177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.5 t70 71.23 169.88 0.32 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.987 0.804 . . . . 0.0 110.88 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.0 p -74.68 125.6 29.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.526 -177.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -99.15 149.28 23.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.971 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.381 -0.818 . . . . 0.0 110.86 -178.494 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.678 ' CB ' ' HG2' ' A' ' -1' ' ' GLU . 6.8 Cg_exo -72.64 78.86 1.98 Allowed 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.069 2.513 . . . . 0.0 111.718 -179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -123.56 118.81 28.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.579 -178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 86.69 -55.16 4.66 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.31 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.5 m -89.35 140.43 28.56 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.67 151.8 67.45 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.931 2.421 . . . . 0.0 111.993 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.678 ' HG2' ' CB ' ' A' ' -6' ' ' PRO . 4.9 mt-10 -78.68 79.58 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.114 -177.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 76.3 t80 -123.75 123.25 40.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.644 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt -140.21 144.58 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.829 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.639 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -148.23 158.43 44.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.915 0.388 . . . . 0.0 111.617 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.27 -167.44 32.9 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.491 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -115.88 159.39 15.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.771 0.786 . . . . 0.0 110.932 179.143 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' A' ' 73' ' ' MET . 3.5 mm? -134.96 154.08 51.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.372 177.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.664 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 2.8 m-85 -72.47 101.56 2.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.004 174.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 20.4 tptm -102.44 119.77 39.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.846 0.355 . . . . 0.0 110.646 179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.431 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 65.7 t-105 -69.39 132.73 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 p -116.28 -72.54 0.69 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.76 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -136.11 156.8 48.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -67.19 -22.64 65.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.884 0.373 . . . . 0.0 110.566 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.85 -41.69 64.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -91.26 -24.66 19.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.16 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.75 -124.4 6.49 Favored Glycine 0 N--CA 1.441 -1.021 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.483 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.6 p-90 -101.57 145.7 28.68 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -131.37 123.89 19.86 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.095 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.86 125.57 13.92 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.451 2.101 . . . . 0.0 111.94 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 18' ' ' ARG . 8.8 mmt180 -124.36 151.37 44.45 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.072 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -93.79 119.85 33.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.072 0.463 . . . . 0.0 109.889 -176.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CD1' HD23 ' A' ' 5' ' ' LEU . 97.3 m-85 -117.77 150.4 39.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.706 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.639 HG12 ' HB3' ' A' ' 2' ' ' GLU . 34.2 m -133.45 134.43 56.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.918 0.39 . . . . 0.0 110.328 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 27' ' ' LEU . 2.9 tm? -104.52 119.66 39.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.89 115.81 7.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 54.46 40.83 32.1 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.46 174.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.4 3.73 86.58 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.145 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -113.2 129.96 67.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 O-C-N 122.339 -0.506 . . . . 0.0 110.575 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.668 HD23 HD23 ' A' ' 22' ' ' LEU . 2.4 tm? -107.2 110.62 22.73 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.0 m -109.95 145.22 37.29 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.327 -173.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -111.25 138.28 47.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.339 178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 36' ' ' VAL . 97.0 m-85 -129.1 178.1 6.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.655 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.98 -38.53 32.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.344 0.592 . . . . 0.0 110.001 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 36' ' ' VAL . 13.5 p -169.75 -174.5 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.871 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -63.1 -39.22 94.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.54 -36.64 78.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.243 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -74.8 -19.5 60.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.581 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.558 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 92.5 t -64.13 -40.61 89.67 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.777 -179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.9 t -64.37 -25.89 68.22 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.45 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -76.96 -58.73 3.12 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.058 -177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.98 127.01 3.3 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.256 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.5 m -64.58 143.21 58.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.117 0.484 . . . . 0.0 111.225 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.592 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 7.5 mptt -85.97 -6.13 59.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.45 0.643 . . . . 0.0 109.803 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.29 142.97 10.14 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.576 176.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 m -142.02 166.15 25.5 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.225 0.512 . . . . 0.0 110.274 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 72.8 mt -111.72 120.11 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 110.223 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -81.19 117.23 21.55 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.165 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.644 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.8 mtp -65.23 -30.24 71.11 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.651 0.262 . . . . 0.0 110.834 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.893 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -69.69 -10.21 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.814 HG13 HD13 ' A' ' 65' ' ' ILE . 7.3 p -125.36 0.8 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.57 0.7 . . . . 0.0 109.913 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.739 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 35.1 t -130.82 123.81 29.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.146 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.583 ' HB2' HG23 ' A' ' 64' ' ' ILE . 36.1 mt-10 -87.71 140.44 29.51 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.398 0.618 . . . . 0.0 110.588 -177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.703 HG23 ' HB2' ' A' ' 92' ' ' LYS . 2.0 tp -99.78 121.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 171.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HE3' HG21 ' A' ' 64' ' ' ILE . 21.5 mmtp -84.23 108.81 17.32 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -172.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.622 HG23 HG13 ' A' ' 51' ' ' ILE . 55.2 t -126.56 119.36 53.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.364 -177.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -129.38 120.29 25.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.812 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.0 m 56.25 -160.85 0.2 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.956 0.785 . . . . 0.0 111.552 174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' HA ' HH12 ' A' ' 81' ' ' ARG . . . -115.06 63.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.915 177.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . 14.7 m-20 -81.68 -162.38 0.52 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.738 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG3' ' A' ' 81' ' ' ARG . 11.8 m120 -82.45 -156.39 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.945 176.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' HG2' ' A' ' 74' ' ' LYS . 38.9 p -68.45 102.89 1.52 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.939 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' HD2' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -166.48 94.31 0.52 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.775 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.566 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.7 mpp? -136.29 148.06 47.79 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.967 0.413 . . . . 0.0 110.597 176.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.51 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.2 tt0 -120.27 142.77 48.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.413 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.49 122.23 46.61 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.842 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -125.26 115.1 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.459 0.647 . . . . 0.0 111.199 -176.696 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.814 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -129.12 116.55 18.89 Favored Pre-proline 0 N--CA 1.451 -0.397 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.662 178.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.662 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.8 Cg_exo -54.02 123.14 12.76 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.345 2.696 . . . . 0.0 113.171 -173.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.98 -54.99 0.54 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -99.8 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 43.92 -154.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 112.911 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.9 t60 69.85 39.76 1.4 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.756 0.789 . . . . 0.0 109.329 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -115.22 112.15 22.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.587 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -108.54 134.3 51.5 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.629 ' HB3' ' HG ' ' A' ' 5' ' ' LEU . 87.3 mtp -131.23 135.96 47.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.664 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 17.2 ttpp -135.64 126.49 27.53 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.5 178.6 6.49 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.583 -176.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.758 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 60.9 t -63.44 -60.91 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.621 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 80' ' ' GLU . 8.7 p30 -138.77 171.22 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -48.08 -40.13 22.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -174.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.88 97.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.054 0.454 . . . . 0.0 111.324 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.758 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 57.1 mm-40 -63.23 -36.33 83.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.615 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HG2' ' SD ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -57.28 -41.8 80.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.769 174.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.488 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.9 tp60 -67.82 -33.53 74.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.844 -178.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -62.1 -44.78 95.91 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.307 0.575 . . . . 0.0 110.777 178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.53 ' HB3' HD12 ' A' ' 88' ' ' LEU . 91.2 m95 -68.37 -35.52 77.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 82' ' ' GLN . 4.1 mp -61.82 -32.16 72.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.494 176.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.5 t -63.28 -51.41 71.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.625 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.42 -50.43 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.557 -0.457 . . . . 0.0 112.078 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 84' ' ' TRP . 29.1 mt -72.96 -43.04 62.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.601 -176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -61.23 -30.17 73.2 Favored Glycine 0 C--O 1.234 0.147 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.733 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.2 t -57.57 -42.63 83.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.436 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 35.8 t -69.71 -33.12 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.901 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.703 ' HB2' HG23 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -66.08 -33.44 75.8 Favored 'General case' 0 N--CA 1.434 -1.275 0 CA-C-O 121.431 0.634 . . . . 0.0 110.402 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.72 97.84 6.75 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.094 -175.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.0 t 68.23 65.41 0.34 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.55 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.893 HD11 ' HA ' ' A' ' 47' ' ' ALA . 20.5 tp -90.61 167.54 12.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.201 -179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 p -75.33 164.93 25.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.845 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 t0 68.34 172.32 0.28 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.73 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.6 p -80.22 88.42 5.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.556 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.517 ' HD2' ' HB3' ' A' ' 95' ' ' LEU . 61.3 mtp180 -58.93 143.62 47.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.246 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.822 -177.296 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.954 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.72 148.48 87.74 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.956 2.437 . . . . 0.0 111.782 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 54.2 tp -69.65 105.97 2.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.121 0.486 . . . . 0.0 110.994 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 83.95 -80.95 1.78 Allowed Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.675 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.627 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 56.4 m -160.3 -52.77 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 122.623 0.369 . . . . 0.0 111.132 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.627 ' HD3' ' HB2' ' A' ' -3' ' ' SER . 35.2 Cg_exo -61.53 111.28 1.11 Allowed 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.001 1.801 . . . . 0.0 111.846 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.02 80.07 9.41 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.078 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -103.84 123.06 46.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.351 0.596 . . . . 0.0 110.989 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.8 tpt -140.95 144.55 35.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.883 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -150.3 153.17 35.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.649 0.262 . . . . 0.0 110.661 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.66 -161.27 33.08 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.885 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 17' ' ' PRO . 2.2 t -121.46 133.95 66.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.707 0.289 . . . . 0.0 110.964 -174.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.443 HD23 ' CD1' ' A' ' 20' ' ' PHE . 3.4 mm? -120.49 152.61 37.79 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.146 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.686 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.6 m-85 -71.8 99.04 2.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.457 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -98.76 115.73 29.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.132 0.491 . . . . 0.0 110.046 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -71.63 135.18 46.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.014 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.5 p -112.53 -85.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.17 176.97 7.93 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -75.34 -32.1 60.79 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.13 -0.628 . . . . 0.0 111.508 -176.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.75 -40.9 65.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.721 0.296 . . . . 0.0 111.396 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.6 p -85.75 -25.35 26.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.748 -177.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.43 -126.75 7.76 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.383 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.667 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.5 p-90 -108.49 148.82 29.66 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -130.86 125.93 21.53 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 175.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.776 ' HB2' HG11 ' A' ' 4' ' ' VAL . 91.5 Cg_endo -72.64 99.15 1.02 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.026 1.818 . . . . 0.0 111.51 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -90.35 152.79 20.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.736 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -93.63 116.91 29.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CD1' HD23 ' A' ' 5' ' ' LEU . 89.0 m-85 -111.69 149.3 31.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.23 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' HD22 ' A' ' 27' ' ' LEU . 34.4 m -134.16 135.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.521 176.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -103.75 121.3 42.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 173.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -145.42 110.06 5.05 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.403 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.32 52.42 11.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.567 173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.24 3.59 76.78 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.064 -0.589 . . . . 0.0 113.525 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mm -115.58 132.43 65.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 122.411 -0.464 . . . . 0.0 110.585 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD23 HD23 ' A' ' 22' ' ' LEU . 2.9 tm? -110.82 110.83 21.61 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.3 m -110.34 148.64 31.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.84 0.352 . . . . 0.0 110.98 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -115.27 136.0 53.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 110.799 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.488 ' CD1' ' HA ' ' A' ' 36' ' ' VAL . 96.6 m-85 -130.68 166.82 19.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.567 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.25 -38.62 75.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 66.8 m -165.79 -176.24 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -64.4 -36.64 84.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.098 0.408 . . . . 0.0 110.495 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.13 -33.03 71.58 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.433 0.635 . . . . 0.0 110.958 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.512 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 34.4 t70 -78.19 -15.51 58.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.623 -177.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.488 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 71.1 t -63.12 -35.65 72.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.42 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.46 -21.13 64.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.681 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 27.6 mmtm -71.04 -30.59 66.81 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 178.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.99 107.27 0.12 Allowed Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.577 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.2 p -72.07 134.39 45.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.764 0.316 . . . . 0.0 110.719 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 8.2 mptt -83.46 -18.71 37.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.533 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.51 97.68 0.81 Allowed Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.844 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.9 m -109.9 166.83 10.63 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 82.0 mt -111.12 122.37 65.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 110.485 -177.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -81.12 115.49 20.58 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.641 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.533 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.5 mtp -65.29 -28.43 69.32 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.893 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -70.68 -10.55 59.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -177.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.85 HG13 HD13 ' A' ' 65' ' ' ILE . 9.9 p -125.39 0.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.594 0.712 . . . . 0.0 109.975 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.697 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -126.79 130.46 50.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.646 -175.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.673 ' HB2' HG23 ' A' ' 64' ' ' ILE . 39.5 mt-10 -88.37 134.31 33.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.17 0.509 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.595 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -99.11 118.95 46.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 168.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HD3' ' CG2' ' A' ' 64' ' ' ILE . 11.5 mmmm -83.69 106.86 15.74 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.67 0.748 . . . . 0.0 109.72 -170.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.595 HG23 HG13 ' A' ' 51' ' ' ILE . 77.7 t -137.54 108.28 5.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.321 -1.308 . . . . 0.0 108.741 -179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -141.46 45.94 1.72 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.196 -176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 65.9 m 53.46 56.95 6.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.84 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.96 -168.73 2.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.616 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' HB2' ' HG3' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -71.58 -166.25 0.19 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.379 0.609 . . . . 0.0 111.093 -177.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.93 127.32 32.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.549 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.6 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 60.6 p 52.8 55.66 8.68 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.706 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HG3' ' HB2' ' A' ' 57' ' ' ASP . 12.2 mmm180 -124.34 97.06 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.579 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.483 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -140.49 149.59 42.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.773 178.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 21.3 tt0 -131.43 140.05 49.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.996 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.64 120.76 43.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.73 ' HA ' ' HG3' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -124.84 115.07 43.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 121.743 0.782 . . . . 0.0 111.325 -179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.85 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -125.76 118.28 24.3 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 114.573 -1.194 . . . . 0.0 108.096 177.204 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.748 ' HD2' HD12 ' A' ' 65' ' ' ILE . 76.3 Cg_exo -51.71 125.92 18.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.099 2.532 . . . . 0.0 113.068 -174.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.85 -46.48 1.22 Allowed Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.07 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HB2' ' H ' ' A' ' 69' ' ' GLN . 26.0 mt-10 -100.88 -89.31 0.35 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.622 0.248 . . . . 0.0 110.613 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.73 ' HG3' ' HA ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER 56.65 -145.33 0.62 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.264 177.049 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.636 ' H ' ' CG ' ' A' ' 69' ' ' GLN . 14.3 t-160 61.59 34.16 17.9 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.49 0.716 . . . . 0.0 109.9 -172.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -112.93 112.05 23.25 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.434 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -110.37 138.48 46.7 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.8 mtt -122.45 137.56 54.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.362 0.601 . . . . 0.0 111.755 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.686 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 56.9 tttm -139.73 126.55 20.73 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 168.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.529 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -84.55 -177.95 6.75 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.204 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.898 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 56.4 t -62.15 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 110.19 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.436 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 32.4 p30 -136.94 172.77 12.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.331 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -45.44 -43.44 11.38 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.12 95.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.958 0.409 . . . . 0.0 111.089 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.898 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 14.0 mm-40 -61.53 -40.34 94.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.467 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.6 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 25.3 ttp180 -57.67 -42.92 84.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.625 175.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.8 tp60 -64.51 -35.16 80.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.134 -177.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -64.4 -44.84 90.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.169 0.509 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.542 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.3 m95 -67.14 -37.5 83.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.265 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 81' ' ' ARG . 4.6 mp -60.59 -33.15 72.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.419 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 82' ' ' GLN . 55.6 t -64.09 -51.47 68.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.054 176.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -49.9 29.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.078 0.466 . . . . 0.0 111.676 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.547 ' HB3' HG12 ' A' ' 51' ' ' ILE . 28.4 mt -72.78 -44.16 61.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.636 -177.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.7 86.29 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.751 -174.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.2 t -64.59 -27.68 69.11 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 14.1 t -69.85 -42.83 73.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.133 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -60.89 -30.87 70.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.317 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.45 101.7 0.35 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.296 -178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.8 m 60.9 41.74 13.93 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.797 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.905 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 50.1 tp -69.7 154.18 42.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.88 176.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.1 p -73.67 164.68 26.33 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -176.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t70 71.54 175.39 0.29 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.913 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.0 p -77.65 93.7 4.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.607 -174.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.905 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 38.3 mtm180 -88.31 168.11 12.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.144 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.789 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -63.72 110.68 1.33 Allowed 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.989 2.459 . . . . 0.0 112.29 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.9 127.71 33.07 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.98 -57.65 4.83 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.084 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 24.3 m -74.33 143.16 79.38 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 2.9 Cg_exo -75.27 40.77 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.493 2.796 . . . . 0.0 113.444 -174.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 47.11 60.64 3.3 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.597 0.713 . . . . 0.0 111.503 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 35.1 t80 -126.21 133.16 51.6 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.605 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.3 tpt -137.21 139.9 41.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.879 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -139.96 147.65 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.498 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.65 -178.88 28.7 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.49 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -106.38 156.52 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 117.259 0.53 . . . . 0.0 110.486 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -133.92 158.37 43.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.178 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.45 124.08 23.33 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.304 173.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -119.49 116.57 26.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -70.97 122.68 20.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.6 p -103.63 -79.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.914 0.387 . . . . 0.0 110.99 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -138.41 162.87 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -65.25 -26.85 68.28 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.596 0.236 . . . . 0.0 111.242 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.48 -41.97 62.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.597 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 p -86.01 -28.02 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.841 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.75 -86.8 1.51 Allowed Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.8 p-90 -152.99 154.19 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.612 0.244 . . . . 0.0 110.353 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 80.3 mm-40 -131.8 123.44 19.16 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.381 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 30.4 Cg_endo -63.03 114.98 2.68 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.722 2.281 . . . . 0.0 112.093 174.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -110.9 154.29 24.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.825 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -94.05 122.43 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -120.3 147.59 44.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.139 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -134.24 136.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.803 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 27' ' ' LEU . 2.7 tm? -101.98 119.96 39.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 175.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -139.9 108.19 5.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.578 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 52.12 60.91 3.5 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.643 173.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.82 -5.36 48.07 Favored Glycine 0 N--CA 1.454 -0.122 0 CA-C-N 116.164 -0.471 . . . . 0.0 113.876 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.1 mm -111.64 133.15 58.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.961 0.41 . . . . 0.0 110.677 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 22' ' ' LEU . 2.7 tm? -108.69 111.02 22.59 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -107.44 146.16 32.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.841 0.353 . . . . 0.0 110.979 -176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -115.0 135.55 54.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.674 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -130.77 161.28 32.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.743 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.73 -25.61 37.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.651 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 t -160.24 -174.07 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.636 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.58 -48.06 35.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.824 0.345 . . . . 0.0 110.75 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.17 -23.99 65.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.391 0.615 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.534 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 34.0 t70 -66.31 -21.59 66.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.676 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.69 -34.74 63.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.867 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.0 m -73.84 -21.65 60.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -176.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 46.4 mmtt -65.66 -46.63 78.42 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.173 0.511 . . . . 0.0 110.856 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.58 114.57 3.85 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.43 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 p -87.46 138.19 31.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.006 0.432 . . . . 0.0 110.968 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.541 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -90.98 -24.85 19.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.536 0.684 . . . . 0.0 109.531 174.703 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.87 130.9 10.38 Favored Glycine 0 N--CA 1.44 -1.071 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.25 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -151.36 173.52 14.42 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.1 mt -110.7 120.61 61.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.441 0.639 . . . . 0.0 110.372 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -83.0 108.7 16.51 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.641 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.4 ' O ' HD21 ' A' ' 95' ' ' LEU . 90.3 mmm -63.63 -27.59 69.34 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 120.696 0.284 . . . . 0.0 111.087 -178.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.648 ' HA ' HD21 ' A' ' 95' ' ' LEU . . . -65.88 -15.58 63.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.846 HG13 HD13 ' A' ' 65' ' ' ILE . 8.0 p -124.95 1.29 5.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.139 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.693 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.3 t -126.88 127.69 45.33 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.405 -176.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.717 ' HB2' HG23 ' A' ' 64' ' ' ILE . 27.7 mt-10 -88.41 137.32 32.43 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.499 0.666 . . . . 0.0 111.252 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.631 HG13 HG23 ' A' ' 53' ' ' VAL . 2.3 tp -98.86 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 167.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.768 ' HE2' HG21 ' A' ' 64' ' ' ILE . 31.2 mmtt -84.05 108.34 16.94 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.424 0.631 . . . . 0.0 110.143 -172.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.631 HG23 HG13 ' A' ' 51' ' ' ILE . 87.6 t -135.18 130.06 51.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.173 -178.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -168.99 -41.04 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.399 . . . . 0.0 110.476 -175.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.41 ' O ' ' HD2' ' A' ' 60' ' ' ARG . 22.0 t -110.49 145.2 38.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.976 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.16 55.61 0.8 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.942 0.401 . . . . 0.0 111.669 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.986 ' HB2' ' HG2' ' A' ' 60' ' ' ARG . 9.5 m-20 -84.58 175.3 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -73.27 107.63 5.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.595 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.633 ' HB ' ' HG3' ' A' ' 74' ' ' LYS . 72.6 p 52.08 78.8 0.12 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.648 0.779 . . . . 0.0 112.765 175.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.986 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -145.31 97.4 2.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.04 0.447 . . . . 0.0 111.455 -178.14 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.616 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.2 mpp? -140.84 156.35 46.15 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.152 -0.342 . . . . 0.0 110.344 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -134.23 137.92 44.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.322 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB2' ' HB2' ' A' ' 71' ' ' PHE . 3.6 mm? -108.38 120.93 43.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 175.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.768 HG21 ' HE2' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -122.93 116.01 47.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.485 0.659 . . . . 0.0 110.976 -177.769 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.846 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -133.7 119.2 14.87 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.975 -1.012 . . . . 0.0 108.883 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.617 ' HD2' HD12 ' A' ' 65' ' ' ILE . 31.6 Cg_exo -59.59 110.77 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.618 2.212 . . . . 0.0 111.927 -179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.95 -62.52 0.6 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -99.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.509 ' H ' HG23 ' A' ' 65' ' ' ILE . 2.7 pt20 47.61 -165.34 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.438 1.095 . . . . 0.0 112.969 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 65.55 36.69 6.42 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.872 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HB2' ' HB2' ' A' ' 63' ' ' LEU . 85.5 m-85 -103.37 111.68 24.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.646 175.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.469 ' CD1' ' HE2' ' A' ' 6' ' ' TYR . 10.6 t80 -99.11 139.26 35.01 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.532 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 0.3 OUTLIER -120.2 135.43 54.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -175.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 83.7 tttt -147.54 120.84 8.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -81.5 -174.92 5.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.325 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.959 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 78.4 t -63.35 -57.17 13.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.105 0.479 . . . . 0.0 110.489 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.456 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.0 p30 -142.63 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.167 177.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -46.02 -43.78 14.67 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.25 97.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.033 0.444 . . . . 0.0 111.201 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.959 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 7.5 mm-40 -61.37 -38.81 88.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.287 176.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.584 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 3.1 ttp180 -57.64 -41.23 80.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.787 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' VAL . 28.9 tp60 -65.17 -34.52 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.426 ' HD2' ' OE1' ' A' ' 80' ' ' GLU . 69.2 mtt180 -67.67 -43.83 79.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.795 0.331 . . . . 0.0 111.306 -178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.515 ' CE2' HD21 ' A' ' 5' ' ' LEU . 95.2 m95 -67.21 -34.84 78.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.985 0.421 . . . . 0.0 109.975 174.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 81' ' ' ARG . 4.8 mp -60.87 -33.21 72.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.624 175.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 82' ' ' GLN . 57.7 t -64.97 -51.79 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.094 -0.242 . . . . 0.0 111.229 176.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.6 -50.75 19.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.978 0.418 . . . . 0.0 111.766 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 84' ' ' TRP . 26.8 mt -74.96 -45.38 42.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.161 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.8 -32.55 84.59 Favored Glycine 0 C--O 1.233 0.08 0 C-N-CA 121.33 -0.462 . . . . 0.0 113.266 -173.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 p -67.32 -25.53 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 110.45 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 35.1 t -67.22 -38.39 85.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.107 176.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -68.11 -29.32 68.22 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.848 0.356 . . . . 0.0 111.04 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.53 88.45 2.14 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.213 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t 69.69 74.35 0.23 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.171 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.875 ' HB3' ' HD3' ' A' ' 99' ' ' ARG . 15.3 tp -103.76 -171.83 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.949 -178.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.662 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -60.12 173.4 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.252 0.549 . . . . 0.0 112.294 178.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -68.83 179.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.81 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.3 p 51.48 51.56 16.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.204 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.875 ' HD3' ' HB3' ' A' ' 95' ' ' LEU . 45.1 mtm180 -93.63 143.19 26.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.814 175.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.246 0.886 0 O-C-N 123.807 0.692 . . . . 0.0 110.672 -177.756 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.527 ' HB3' ' HG2' ' A' ' -1' ' ' GLU . 15.8 Cg_exo -68.8 99.56 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 123.101 2.534 . . . . 0.0 111.905 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 44.7 tp -130.67 113.42 14.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.122 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 81.22 -61.66 4.56 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.158 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 49.1 m -65.82 144.42 98.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 C-N-CA 122.49 0.316 . . . . 0.0 111.072 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.43 130.01 33.8 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.061 2.507 . . . . 0.0 112.237 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.527 ' HG2' ' HB3' ' A' ' -6' ' ' PRO . 0.1 OUTLIER -79.87 105.81 11.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.84 -177.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -125.77 122.13 35.32 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.045 0.45 . . . . 0.0 110.349 173.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -140.11 137.58 34.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.168 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -148.66 151.45 34.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.644 0.259 . . . . 0.0 110.694 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 160.12 -176.62 36.8 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.505 ' C ' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -107.73 152.15 9.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 117.576 0.688 . . . . 0.0 110.23 179.543 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.62 ' HG ' ' HG3' ' A' ' 73' ' ' MET . 3.6 mm? -132.06 157.97 42.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.695 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -75.17 98.51 3.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.18 176.185 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 8' ' ' TRP . 18.0 tptm -98.51 116.71 31.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.03 0.443 . . . . 0.0 110.695 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.446 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 46.8 t-105 -64.88 124.33 21.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.471 173.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -108.15 -73.03 0.7 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.098 0.475 . . . . 0.0 110.949 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -134.31 161.56 34.63 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -66.48 -23.83 66.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.987 0.422 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.94 -41.66 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.227 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 p -90.36 -25.73 20.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.748 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.9 -91.42 1.5 Allowed Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.695 ' CE3' ' HA ' ' A' ' 6' ' ' TYR . 7.7 p-90 -136.56 151.86 49.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.776 0.322 . . . . 0.0 110.391 -177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -131.35 123.39 19.56 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.365 174.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.41 95.72 0.46 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.622 2.215 . . . . 0.0 111.549 175.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HD2' ' HA ' ' A' ' 31' ' ' ASP . 19.3 tpp180 -108.27 160.46 15.83 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.4 t-105 -93.36 124.41 37.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.167 0.508 . . . . 0.0 110.603 -171.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 29' ' ' TYR . 80.4 m-85 -121.12 148.2 44.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.672 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG22 ' HE1' ' A' ' 30' ' ' TYR . 29.6 m -136.02 138.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 27' ' ' LEU . 1.1 tm? -102.04 120.56 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -136.19 107.98 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.406 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 52.72 46.63 26.36 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.038 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.92 -1.76 86.92 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.125 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -113.19 128.2 70.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 O-C-N 122.42 -0.459 . . . . 0.0 110.389 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.736 HD23 HD23 ' A' ' 22' ' ' LEU . 3.1 tm? -100.78 110.46 22.56 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.7 m -111.9 139.76 47.11 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.687 -175.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 33.0 p90 -107.59 138.95 42.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 176.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.632 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 90.1 m-85 -128.35 164.73 22.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.775 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.525 ' HA ' ' HD2' ' A' ' 18' ' ' ARG . 22.4 t70 -70.86 -36.71 72.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.214 0.531 . . . . 0.0 110.086 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.488 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 22.7 t -153.71 -175.07 5.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.786 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -72.75 -40.58 65.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.838 0.352 . . . . 0.0 110.289 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.67 -27.34 65.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.418 0.628 . . . . 0.0 110.76 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.6 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 37.4 t70 -68.32 -20.72 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.645 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.632 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 99.2 t -58.57 -38.0 68.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.76 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.49 -21.54 62.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.22 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.6 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 25.3 mmtt -76.87 -19.74 57.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.977 0.418 . . . . 0.0 111.048 -177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.68 119.29 1.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.102 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -74.06 136.52 43.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.007 0.432 . . . . 0.0 111.562 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 6.3 mptt -95.66 -1.72 49.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.513 0.673 . . . . 0.0 109.48 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.0 104.25 0.54 Allowed Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.689 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 m -128.09 152.61 47.77 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.8 mt -111.23 122.26 65.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.321 0.582 . . . . 0.0 110.747 -175.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -81.09 115.6 20.61 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.404 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 88' ' ' LEU . 1.4 mtp -65.12 -30.92 71.89 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 111.19 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.592 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -67.14 -10.27 48.46 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.904 HG13 HD13 ' A' ' 65' ' ' ILE . 9.8 p -125.87 2.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.701 0.762 . . . . 0.0 110.159 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.577 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 44.5 t -124.54 129.77 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.511 -176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.68 129.46 35.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.963 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.639 HG13 HG23 ' A' ' 53' ' ' VAL . 1.9 tp -98.41 115.46 38.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 170.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -85.35 107.52 17.39 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.921 -0.711 . . . . 0.0 109.431 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.639 HG23 HG13 ' A' ' 51' ' ' ILE . 78.9 t -137.98 108.25 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.304 -175.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -164.24 -75.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.953 0.406 . . . . 0.0 110.491 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.5 m -91.92 43.18 1.13 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.304 0.573 . . . . 0.0 110.738 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 1.023 ' HB1' ' HB2' ' A' ' 60' ' ' ARG . . . -147.54 95.69 2.57 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.285 -174.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.676 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 4.4 t70 -110.51 35.64 3.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.282 0.563 . . . . 0.0 111.271 -175.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.68 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 51.8 t-20 -164.23 88.38 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.993 177.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.774 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 30.2 p 59.67 5.98 0.77 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.629 1.172 . . . . 0.0 114.017 173.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 1.023 ' HB2' ' HB1' ' A' ' 56' ' ' ALA . 66.4 mtp180 -96.36 106.65 18.91 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.857 -0.527 . . . . 0.0 110.899 -173.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.641 ' HB2' ' HB3' ' A' ' 73' ' ' MET . 0.3 OUTLIER -142.71 148.66 37.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 177.241 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.8 141.58 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.539 0.209 . . . . 0.0 110.589 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 51' ' ' ILE . 4.5 mm? -113.96 121.37 43.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.73 116.04 46.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.503 0.668 . . . . 0.0 111.129 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.904 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -130.82 116.09 16.96 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 114.847 -1.07 . . . . 0.0 108.955 -179.165 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.582 ' HD2' HD12 ' A' ' 65' ' ' ILE . 50.9 Cg_exo -54.29 116.65 3.21 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.073 2.516 . . . . 0.0 112.669 -176.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.24 -60.83 0.58 Allowed Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.324 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.62 -68.53 0.8 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.453 ' H ' HG23 ' A' ' 65' ' ' ILE . 13.7 pt20 46.73 -165.44 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.458 1.103 . . . . 0.0 113.736 172.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.1 t60 67.63 32.93 5.26 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.981 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -100.8 112.87 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.924 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -94.08 140.52 29.64 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.641 ' HB3' ' HB2' ' A' ' 61' ' ' MET . 1.3 tpt -121.52 137.08 54.88 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.695 ' HB3' ' HB2' ' A' ' 6' ' ' TYR . 35.3 tttp -153.24 122.66 6.69 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.0 175.25 7.85 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.481 -177.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.482 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 66.4 t -56.57 -55.28 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.092 0.472 . . . . 0.0 110.772 -179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.478 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 10.8 p30 -140.38 174.01 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.263 176.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -53.29 -40.71 64.94 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . . . -63.64 -43.64 96.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.136 177.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.482 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 50.7 mm-40 -62.72 -34.37 77.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.705 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.774 ' HB2' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -57.05 -42.49 80.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.717 172.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 86' ' ' VAL . 26.6 tp60 -62.63 -33.82 75.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.726 -177.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.19 -45.79 86.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.185 0.516 . . . . 0.0 110.474 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.573 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.1 m95 -67.33 -36.01 80.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.036 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 81' ' ' ARG . 5.0 mp -61.45 -32.19 72.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.604 177.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 82' ' ' GLN . 53.8 t -64.13 -51.76 64.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.994 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.0 -50.79 21.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.107 0.48 . . . . 0.0 111.803 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 46' ' ' MET . 28.5 mt -72.2 -43.64 64.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.001 -177.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.51 -29.71 75.9 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.425 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.8 t -60.74 -32.27 71.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.3 t -70.34 -38.44 74.87 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.442 176.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 51' ' ' ILE . 20.7 tttp -63.7 -22.13 66.74 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.75 98.48 1.54 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.776 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 p 49.69 75.2 0.17 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.651 0.739 . . . . 0.0 112.137 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.603 HD21 ' O ' ' A' ' 46' ' ' MET . 14.1 tp -93.27 145.88 24.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.025 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.6 p -76.19 162.43 27.97 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 67.01 -169.93 0.2 Allowed 'General case' 0 N--CA 1.473 0.683 0 O-C-N 124.28 0.988 . . . . 0.0 111.692 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.7 p -59.36 149.33 29.39 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.233 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -158.13 128.77 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.659 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 38.8 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.338 177.359 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . 0.448 ' HA2' ' HD3' ' A' ' -6' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.448 ' HD3' ' HA2' ' A' ' -7' ' ' GLY . 16.9 Cg_exo -71.09 152.51 62.47 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 123.408 2.739 . . . . 0.0 112.146 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' -5' ' ' LEU . 1.9 tm? -86.98 102.82 14.76 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -177.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 80.02 -76.02 2.09 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.48 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.653 ' H ' ' HD2' ' A' ' -2' ' ' PRO . 49.7 m -148.68 -44.92 0.01 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.653 ' HD2' ' H ' ' A' ' -3' ' ' SER . 75.7 Cg_exo -51.9 105.41 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 122.247 1.965 . . . . 0.0 113.423 178.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -111.93 71.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -126.06 132.71 51.89 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.249 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt -140.02 140.06 36.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.137 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -137.23 155.36 49.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.808 0.337 . . . . 0.0 110.599 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.12 29.63 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.472 ' C ' HD22 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -119.6 159.62 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 117.119 0.46 . . . . 0.0 110.398 179.041 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.472 HD22 ' C ' ' A' ' 4' ' ' VAL . 3.5 mm? -135.07 152.63 51.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.494 -0.775 . . . . 0.0 108.955 177.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.716 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -70.53 119.83 15.27 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 170.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -110.47 118.74 37.07 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.517 176.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -73.07 105.46 4.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 173.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 p -83.75 -75.04 0.35 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.095 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -142.17 158.59 43.56 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -67.14 -20.08 65.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.109 -178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.2 -40.55 64.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 111.024 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.9 p -84.89 -44.77 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.14 -178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.41 -123.92 8.08 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.864 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.664 ' HB2' ' CD1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -104.77 133.88 48.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 -178.574 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -131.0 124.32 20.51 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.524 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.05 129.78 14.61 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.496 2.131 . . . . 0.0 112.279 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 31.0 mmt180 -131.18 159.9 36.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.248 176.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -94.38 126.59 39.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.817 0.341 . . . . 0.0 110.47 -173.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 94.9 m-85 -127.54 145.92 50.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.754 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG22 ' HE2' ' A' ' 30' ' ' TYR . 23.4 m -135.81 138.07 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.763 0.316 . . . . 0.0 110.471 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 HD23 ' A' ' 27' ' ' LEU . 2.5 tm? -101.84 120.06 39.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 175.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -138.61 110.52 7.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.627 0.727 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 55.31 56.64 6.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.151 -0.932 . . . . 0.0 112.124 174.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.5 3.87 59.36 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.609 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 mm -114.64 129.51 70.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 O-C-N 122.385 -0.48 . . . . 0.0 110.16 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.459 HD23 HD23 ' A' ' 22' ' ' LEU . 3.0 tm? -106.12 108.61 20.21 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.3 p -108.84 147.97 31.3 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.765 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.457 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 13.2 p90 -118.59 141.08 48.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.344 -177.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 40' ' ' SER . 84.3 m-85 -128.57 169.98 13.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.362 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -76.62 -38.79 54.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.004 0.43 . . . . 0.0 110.46 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 49.2 m -150.74 -177.83 6.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.693 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -68.21 -48.13 66.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.895 0.378 . . . . 0.0 110.178 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -59.66 -26.34 65.46 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.527 0.68 . . . . 0.0 111.291 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.516 ' HA ' ' HG2' ' A' ' 38' ' ' LYS . 34.9 t70 -69.16 -14.34 62.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.858 -176.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.488 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 78.0 t -65.4 -35.53 75.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 178.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.3 m -72.12 -16.66 62.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.151 0.5 . . . . 0.0 111.155 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' HG2' ' HA ' ' A' ' 35' ' ' ASP . 21.1 mmtm -75.79 -22.17 56.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.162 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.36 122.82 3.11 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.719 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.506 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 3.0 p -76.78 134.73 39.03 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.234 0.54 . . . . 0.0 112.025 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 5.5 mptt -98.53 -27.38 14.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.302 174.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.72 123.4 6.57 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.955 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 p -138.09 159.14 42.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.982 0.42 . . . . 0.0 110.858 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.3 mt -112.93 120.72 63.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HG2' HG12 ' A' ' 48' ' ' VAL . 27.7 ttmt -83.98 115.45 22.33 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.9 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.575 ' O ' HD21 ' A' ' 95' ' ' LEU . 1.7 mtp -64.67 -31.08 72.14 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.941 -178.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.779 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -66.43 -13.78 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 65' ' ' ILE . 9.7 p -125.03 0.69 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.463 0.649 . . . . 0.0 110.236 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.77 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 36.9 t -129.25 124.5 34.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.3 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.577 ' HB2' HG23 ' A' ' 64' ' ' ILE . 44.9 mt-10 -88.05 134.54 33.72 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.074 0.464 . . . . 0.0 110.524 -178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.599 HG13 HG23 ' A' ' 53' ' ' VAL . 2.2 tp -98.67 119.26 46.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 172.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HG3' ' OE1' ' A' ' 62' ' ' GLU . 4.8 mmmm -85.42 107.48 17.41 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.606 0.717 . . . . 0.0 110.057 -171.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.599 HG23 HG13 ' A' ' 51' ' ' ILE . 98.5 t -135.62 108.02 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.673 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -135.75 -52.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.126 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -156.4 -171.38 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.648 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.457 ' HB1' ' HD3' ' A' ' 60' ' ' ARG . . . 67.23 91.61 0.09 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.896 0.748 . . . . 0.0 111.078 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.768 ' HA ' ' NH1' ' A' ' 81' ' ' ARG . 8.5 m-20 -79.35 71.53 5.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.506 0.67 . . . . 0.0 111.894 -176.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.662 ' O ' ' HD3' ' A' ' 81' ' ' ARG . 21.6 t-20 -160.49 168.57 24.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 173.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.672 HG22 ' HB3' ' A' ' 75' ' ' ALA . 21.7 p -58.55 92.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -173.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 58' ' ' ASN . 6.8 ptm180 -163.43 98.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.21 0.528 . . . . 0.0 111.599 177.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.601 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.7 mpp? -135.16 151.51 50.75 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE1' ' HG3' ' A' ' 52' ' ' LYS . 29.5 tt0 -123.23 136.17 54.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.574 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.39 120.13 41.52 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.577 HG23 ' HB2' ' A' ' 50' ' ' GLU . 1.1 tp -122.49 115.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.605 0.717 . . . . 0.0 111.024 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.903 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -132.7 119.57 16.15 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 114.825 -1.079 . . . . 0.0 108.798 -178.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.698 ' HD2' HD12 ' A' ' 65' ' ' ILE . 51.0 Cg_exo -54.16 135.63 65.14 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.823 2.349 . . . . 0.0 112.63 -178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.72 -44.37 1.95 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.292 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.8 mt-10 -107.95 -74.39 0.66 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.588 ' H ' HG23 ' A' ' 65' ' ' ILE . 2.4 pt20 46.38 -158.39 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.368 1.067 . . . . 0.0 112.645 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 t60 68.4 29.07 5.93 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.909 0.861 . . . . 0.0 109.804 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -107.55 110.52 22.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.282 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -111.43 143.5 42.16 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 174.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 mtt -121.97 136.99 54.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 111.41 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.716 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 16.1 ttpp -136.96 119.23 15.62 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 168.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -76.84 -174.84 3.22 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.683 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.686 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 58.8 t -62.76 -61.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.975 0.417 . . . . 0.0 109.984 177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.455 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.2 p-10 -140.44 167.73 21.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.746 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 58' ' ' ASN . . . -48.33 -41.42 28.32 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.7 96.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.489 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.686 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 56.1 mm-40 -64.09 -36.22 83.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 177.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.768 ' NH1' ' HA ' ' A' ' 57' ' ' ASP . 5.3 ttp180 -57.24 -41.02 78.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.002 173.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.2 tp60 -63.08 -33.36 75.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.648 -177.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -63.88 -45.81 87.73 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.35 0.595 . . . . 0.0 110.188 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.544 ' HB3' HD12 ' A' ' 88' ' ' LEU . 96.8 m95 -67.52 -35.62 79.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.235 176.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.566 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -61.67 -33.19 73.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.24 177.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.9 t -63.05 -51.12 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.897 -0.138 . . . . 0.0 110.971 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.74 18.57 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' A' ' 84' ' ' TRP . 35.8 mt -72.27 -43.43 64.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.677 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.48 -29.05 65.82 Favored Glycine 0 C--N 1.329 0.15 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.174 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -55.77 -40.55 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.947 0.403 . . . . 0.0 110.477 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 46' ' ' MET . 33.3 t -70.22 -44.12 69.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.054 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -57.92 -39.04 77.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.289 0.566 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.03 93.16 1.74 Allowed 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.546 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.7 m 71.36 88.01 0.11 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.753 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.779 HD11 ' HA ' ' A' ' 47' ' ' ALA . 22.9 tp -120.68 158.98 26.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.855 -178.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.4 p -70.9 154.37 41.89 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -175.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.5 t70 66.22 -179.78 0.2 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.619 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -83.29 110.6 18.24 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -69.9 161.95 28.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.45 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.875 -175.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -64.65 145.23 86.52 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.843 2.362 . . . . 0.0 111.704 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.32 100.25 10.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.397 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 83.68 -66.14 3.98 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.643 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.504 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 20.7 t -161.46 -49.38 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.602 0 N-CA-C 112.197 0.444 . . . . 0.0 112.197 -175.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' -3' ' ' SER . 53.2 Cg_exo -55.61 105.45 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 C-N-CA 122.315 2.01 . . . . 0.0 113.516 -177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -106.97 70.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.477 0.656 . . . . 0.0 109.484 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -126.1 128.09 46.81 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.139 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 15.6 tpt -135.19 140.67 45.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.128 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -139.24 150.85 45.98 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.106 0.254 . . . . 0.0 110.486 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.47 -163.59 29.96 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG12 ' CE3' ' A' ' 19' ' ' TRP . 1.0 OUTLIER -121.82 160.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 117.259 0.529 . . . . 0.0 110.358 179.368 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' HG ' ' SD ' ' A' ' 73' ' ' MET . 3.3 mm? -132.46 154.56 49.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.625 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -66.09 119.38 11.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.101 172.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -114.28 116.57 29.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.698 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -75.86 124.86 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.6 p -109.88 -72.96 0.7 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -142.37 160.54 40.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -69.57 -19.92 63.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.751 0.31 . . . . 0.0 110.865 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.28 -41.36 63.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.8 p -87.26 -33.28 19.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.607 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.79 -104.17 3.11 Favored Glycine 0 N--CA 1.441 -1.012 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.309 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.503 ' HB2' ' CD2' ' A' ' 6' ' ' TYR . 8.2 p-90 -136.61 150.04 48.34 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 87.4 mt-30 -130.72 122.61 19.7 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 16' ' ' GLN . 36.8 Cg_endo -66.25 108.34 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.575 2.183 . . . . 0.0 111.688 173.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.544 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.1 tpm_? -106.93 154.04 21.65 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.418 ' CE3' HG12 ' A' ' 4' ' ' VAL . 51.9 t-105 -94.0 131.96 38.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.042 0.448 . . . . 0.0 110.455 -173.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -130.94 143.22 50.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.982 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.27 135.93 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.041 0.448 . . . . 0.0 110.477 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD23 HD23 ' A' ' 27' ' ' LEU . 3.0 tm? -102.21 120.21 40.08 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -133.04 107.05 8.0 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.676 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 47.24 62.23 2.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.149 173.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 46' ' ' MET . . . 81.61 -7.81 60.84 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 121.133 -0.556 . . . . 0.0 114.403 176.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.8 mm -117.14 132.16 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 118.088 0.944 . . . . 0.0 111.053 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.516 HD23 HD23 ' A' ' 22' ' ' LEU . 3.3 tm? -107.49 110.93 22.98 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -107.53 148.57 29.06 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.985 -0.447 . . . . 0.0 111.153 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -121.55 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.986 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 36' ' ' VAL . 95.8 m-85 -142.87 177.44 8.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.762 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.93 -39.13 51.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 111.218 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.526 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 6.0 p -157.3 -176.2 5.83 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -174.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -63.36 -51.38 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.589 -176.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 29.4 t70 -67.71 -27.94 67.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.264 0.554 . . . . 0.0 110.738 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.526 ' HB3' ' H ' ' A' ' 32' ' ' SER . 38.2 t70 -71.86 -6.3 40.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.129 -176.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.541 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 53.8 t -61.49 -39.01 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.117 0.484 . . . . 0.0 111.004 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.9 t -89.13 -26.5 21.29 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.948 0.404 . . . . 0.0 110.468 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 16.5 mmtm -88.5 -30.42 19.38 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -172.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.8 -131.54 2.34 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.999 -0.62 . . . . 0.0 114.632 -166.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.7 p -96.24 124.05 40.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -169.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -89.7 5.21 46.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.732 -176.764 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.04 -55.12 29.68 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.801 176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.5 m 64.92 170.87 0.2 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 121.54 0.686 . . . . 0.0 112.13 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.2 mt -113.01 120.22 62.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.012 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.608 ' HB3' HG12 ' A' ' 48' ' ' VAL . 80.4 tttt -82.92 106.67 14.94 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.455 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.643 ' O ' HD21 ' A' ' 95' ' ' LEU . 95.2 mmm -62.6 -26.87 68.82 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 120.903 0.382 . . . . 0.0 111.854 -176.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HA ' HD11 ' A' ' 95' ' ' LEU . . . -76.48 -8.77 57.87 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.824 HG13 HD13 ' A' ' 65' ' ' ILE . 6.8 p -124.97 2.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.707 0.765 . . . . 0.0 109.633 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.781 ' HB2' ' HB ' ' A' ' 65' ' ' ILE . 37.2 t -132.08 118.83 20.16 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.747 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.607 ' HG2' ' HB2' ' A' ' 99' ' ' ARG . 23.5 mp0 -85.93 137.15 32.95 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.471 0.653 . . . . 0.0 110.686 -175.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.659 HD11 ' HB3' ' A' ' 61' ' ' MET . 1.4 tp -98.04 118.55 44.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HE3' HG21 ' A' ' 64' ' ' ILE . 15.6 mmtp -83.99 108.39 16.93 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.457 0.646 . . . . 0.0 109.41 -173.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 51' ' ' ILE . 71.7 t -123.07 108.49 21.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.514 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . 22.0 t-80 -81.92 -87.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.268 -175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.1 p 174.88 119.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 122.439 0.296 . . . . 0.0 111.051 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.49 32.61 21.07 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' A' ' 54' ' ' HIS . 1.9 m-20 -89.11 150.44 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.83 0.348 . . . . 0.0 110.204 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 3.1 m-20 -89.12 102.13 14.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.53 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ARG . 20.8 p 50.34 51.29 17.07 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.435 0.694 . . . . 0.0 112.543 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 58' ' ' ASN . 39.3 mmt180 -124.46 101.16 7.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.627 -177.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.799 ' SD ' ' HG3' ' A' ' 81' ' ' ARG . 1.2 mpp? -140.31 147.32 39.72 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 175.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -126.42 132.47 51.49 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.902 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.0 119.38 38.74 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.85 HG21 ' HE3' ' A' ' 52' ' ' LYS . 1.9 tp -123.17 114.95 44.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-O 121.285 0.564 . . . . 0.0 110.938 -178.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.824 HD13 HG13 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -122.16 110.93 32.43 Favored Pre-proline 0 N--CA 1.443 -0.798 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 176.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' A' ' 65' ' ' ILE . 46.3 Cg_exo -55.86 112.18 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.576 2.851 . . . . 0.0 113.043 -171.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.15 -64.77 0.6 Allowed Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.425 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 31.9 mt-10 -95.2 -58.34 2.17 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 10.1 pt20 43.91 -150.34 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.72 0 O-C-N 124.041 0.838 . . . . 0.0 112.8 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 73.98 36.36 0.71 Allowed 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.661 0.743 . . . . 0.0 110.244 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -117.84 111.74 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.865 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.445 ' HD2' ' HE1' ' A' ' 6' ' ' TYR . 62.8 t80 -111.16 143.05 42.52 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 174.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.491 ' SD ' ' HG ' ' A' ' 5' ' ' LEU . 31.7 mtt -121.47 136.48 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.619 0.723 . . . . 0.0 111.527 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 6' ' ' TYR . 71.1 tttt -142.43 120.69 12.27 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 171.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 59' ' ' THR . . . -80.99 179.05 8.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.009 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.601 ' HB ' ' HG3' ' A' ' 80' ' ' GLU . 95.4 t -57.05 -56.87 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.131 0.491 . . . . 0.0 110.852 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 80' ' ' GLU . 3.0 p-10 -143.58 166.08 25.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.362 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 81' ' ' ARG . . . -47.98 -41.64 25.79 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.226 0.329 . . . . 0.0 111.879 -173.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.451 ' HB3' ' ND2' ' A' ' 77' ' ' ASN . . . -61.27 -43.02 99.56 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.013 0.435 . . . . 0.0 111.779 176.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.601 ' HG3' ' HB ' ' A' ' 76' ' ' VAL . 35.5 mm-40 -63.0 -32.25 73.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.799 ' HG3' ' SD ' ' A' ' 61' ' ' MET . 25.5 ttt180 -57.92 -40.3 80.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.857 173.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' VAL . 24.0 tp60 -61.66 -35.55 78.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.875 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -61.48 -46.25 90.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.289 0.566 . . . . 0.0 110.794 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.497 ' HB3' HD12 ' A' ' 88' ' ' LEU . 97.0 m95 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.106 177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.52 HD13 ' HG2' ' A' ' 81' ' ' ARG . 4.8 mp -62.56 -32.16 73.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.511 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' GLN . 54.3 t -63.42 -51.3 72.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.676 176.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.02 -51.53 15.59 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.885 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' ' 84' ' ' TRP . 31.2 mt -73.33 -39.61 65.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.905 -175.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.4 77.43 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 121.306 -0.474 . . . . 0.0 112.593 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.6 m -61.52 -36.55 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.192 0.52 . . . . 0.0 109.834 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 28.8 t -69.46 -43.38 73.38 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.6 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.55 ' HB2' HG23 ' A' ' 51' ' ' ILE . 14.6 tttm -64.24 -37.43 87.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.12 104.41 2.59 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.805 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 m 73.71 39.43 0.55 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.166 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.757 ' HG ' ' H ' ' A' ' 96' ' ' THR . 10.9 tp -83.34 -157.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.371 175.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.757 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -55.99 155.14 6.61 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 123.363 0.665 . . . . 0.0 112.309 178.63 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.94 163.53 27.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.858 174.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.9 p 51.93 41.48 29.58 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.278 0.631 . . . . 0.0 111.035 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.607 ' HB2' ' HG2' ' A' ' 50' ' ' GLU . 20.5 ptt-85 -86.47 72.85 10.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.571 -173.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.405 -0.807 . . . . 0.0 110.01 178.412 . . . . . . . . 0 0 . 1 stop_ save_